104-49-4

• 常用中文名：对苯二异氰酸酯
• 常用英文名：1,4-Diisocyanatobenzene
• CAS号：104-49-4
• 分子式：C₈H₄N₂O₂
• 分子量：160.130
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸酯及其衍生物
• 发布时间：2018-08-14 13:14:16
• 更新时间：2024-01-02 15:48:06
• 下载msds

名称

• 中文名: 对苯二异氰酸酯
• 英文名: 1,4-Phenylene diisocyanate
• 中文别名: 1-丙基哌嗪二氢溴酸; 1,4-苯二异氰酸; 对苯二异酸酯(PPDI); 对亚苯基二异氰酸酯; 1,4-苯二异氰酸酯; (+)-2-(2-氟-4-联苯基)-丙酸
• 英文别名: 1,4-Phenylene Diisocyanate; Benzene, 1,4-diisocyanato-; Benzene 1,4-Diisocyanate; EINECS 203-207-6; MFCD00002025; 1,4-Diisocyanatobenzene

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 236.2±23.0 °C at 760 mmHg
• 熔点: 96-99 °C(lit.)
• 分子式: C₈H₄N₂O₂
• 分子量: 160.130
• 闪点: 92.4±28.0 °C
• 精确质量: 160.027283
• PSA: 58.86000
• LogP: 2.85
• 外观性状: 白色至淡黄色晶体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.567
• 储存条件: 0-10°C;存放于惰性气体之中;避免湿气 (分解),加热
• 稳定性: Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive.
• 分子结构:

  1、 摩尔折射率：44.67

  2、 摩尔体积（cm³/mol）：136.7

  3、 等张比容（90.2K）：359.2

  4、 表面张力（dyne/cm）：47.6

  5、 介电常数：

  6、 偶极距（10^-24cm³）：

  7、 极化率：17.71

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积58.9

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:205

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：96-99

  5. 沸点（ºC,常压）：260

  6. 沸点（ºC, kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：>110

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）: 未确定

  11. 蒸气压（mmHg,20ºC）：<0.01

  12. 饱和蒸气压（kPa, ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: 1,4-Phenylene diisocyanate REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 104-49-4 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 4), H302 Acute toxicity, Inhalation (Category 4), H332 Acute toxicity, Dermal (Category 4), H312 Skin irritation (Category 2), H315 Serious eye damage (Category 1), H318 Respiratory sensitisation (Category 1), H334 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xn HarmfulR20/21/22, R42 Xi IrritantR38, R41 For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordDanger Hazard statement(s) H302 + H312 + H332Harmful if swallowed, in contact with skin or if inhaled H315Causes skin irritation. H318Causes serious eye damage. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. Precautionary statement(s) P261Avoid breathing dust. P280Wear protective gloves/ eye protection/ face protection. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements Other hazards Lachrymator. SECTION 3: Composition/information on ingredients Substances Formula: C8H4N2O2 Molecular Weight: 160,13 g/mol CAS-No.: 104-49-4 EC-No.: 203-207-6 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration p-Phenylene diisocyanate CAS-No.104-49-4Acute Tox. 4; Skin Irrit. 2; Eye<= 100 % EC-No.203-207-6Dam. 1; Resp. Sens. 1; H302 + H312 + H332, H315, H318, H334 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration p-Phenylene diisocyanate CAS-No.104-49-4Xn, R20/21/22 - R38 - R41 - <= 100 % EC-No.203-207-6R42 For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx) Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Air and moisture sensitive. Handle and store under inert gas. Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 96 - 99 °C - lit. point f) Initial boiling point and 260 °C - lit. boiling range g) Flash point> 113 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressure< 0,01 hPa at 20 °C l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid Air Incompatible materials Strong oxidizing agents, Amines, Strong bases, Strong acids Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation Skin - rabbit Result: Severe skin irritation Serious eye damage/eye irritation no data available Respiratory or skin sensitisation Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: CZ6150000 burning sensation, Cough, wheezing, laryngitis, Shortness of breath, spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi, pneumonitis, pulmonary edema, Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin., Headache, Nausea, Vomiting SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: 3335 UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Aviation regulated solid, n.o.s. Transport hazard class(es) ADR/RID: -IMDG: -IATA: 9 Packaging group ADR/RID: -IMDG: -IATA: III Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Full text of H-Statements referred to under sections 2 and 3. Acute Tox.Acute toxicity Eye Dam.Serious eye damage H302Harmful if swallowed. H302 + H312 +Harmful if swallowed, in contact with skin or if inhaled H332 H312Harmful in contact with skin. H315Causes skin irritation. H318Causes serious eye damage. H332Harmful if inhaled. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. Full text of R-phrases referred to under sections 2 and 3 XnHarmful R20/21/22Harmful by inhalation, in contact with skin and if swallowed. R38Irritating to skin. R41Risk of serious damage to eyes. R42May cause sensitisation by inhalation. Further information Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激性：标准德来塞实验：兔子皮肤接触，500mgREACTION SEVERITY，强烈反应； 2、急性毒性：大鼠吸入LCLo：335mg/m3/24H； 3、其他多剂量毒性：大鼠吸入TCLo：77100μg/kg/7H/5D-I； 小鼠吸入TCLo：77100μg/kg/7H/5D-I； 猫吸入TCLo：77100μg/kg/7H/5D-I； 兔子吸入TCLo：77100μg/kg/7H/5D-I； 豚鼠吸入TCLo：77100μg/kg/7H/5D-I； CHEMICAL IDENTIFICATION RTECS NUMBER : CZ6150000 CHEMICAL NAME : Benzene, 1,4-diisocyanato- CAS REGISTRY NUMBER : 104-49-4 LAST UPDATED : 199710 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C8-H4-N2-O2 MOLECULAR WEIGHT : 160.14 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530176 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 335 mg/m3/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0543429 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 77100 ug/kg/7H/5D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 77100 ug/kg/7H/5D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 77100 ug/kg/7H/5D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 77100 ug/kg/7H/5D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 77100 ug/kg/7H/5D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530223

安全

• 符号: GHS05, GHS07, GHS08
• 信号词: Danger
• 危害声明: H302 + H312 + H332-H315-H318-H334
• 警示性声明: P261-P280-P305 + P351 + P338-P342 + P311
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn:Harmful
• 风险声明 (欧洲): R20/21/22;R36/37/38;R42
• 安全声明 (欧洲): S22-S26-S36/37
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 3
• RTECS号: CZ6150000
• 危险类别: 6.1
• 海关编码: 2929109000

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海关

海关编码	2929109000
中文概述	2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%