2237-14-1
2237-14-1结构式
- 常用中文名：对苯醌-d4
- 常用英文名：(2H4)-2,5-Cyclohexadiene-1,4-dione
- CAS号：2237-14-1
- 分子式：C6D4O2
- 分子量：112.119
- 发布时间：2018-05-07 08:00:00
- 更新时间：2024-01-05 22:49:53
| 中文名 | 对苯醌-d4 |
|---|---|
| 英文名 | 2,3,5,6-tetradeuteriocyclohexa-2,5-diene-1,4-dione |
| 中文别名 | 1,4-苯醌-d4 |
| 英文别名 |
(H)-2,5-Cyclohexadiene-1,4-dione
2,5-Cyclohexadiene-1,4-dione-d (H)Cyclohexa-2,5-diene-1,4-dione p-Benzoquinone-d4 1,4-benzoquinone-d4 MFCD00142542 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 174.0±15.0 °C at 760 mmHg |
| 熔点 | 113-115ºC(lit.) |
| 分子式 | C6D4O2 |
| 分子量 | 112.119 |
| 闪点 | 59.3±17.4 °C |
| 精确质量 | 112.046234 |
| PSA | 34.14000 |
| LogP | 0.26 |
| 蒸汽压 | 1.2±0.3 mmHg at 25°C |
| 折射率 | 1.543 |
| 储存条件 | 密闭,阴凉干燥处保存 |
| 稳定性 | 常温常压下稳定 避免强氧化剂 |
| 分子结构 | 1、 摩尔折射率：27.13 2、 摩尔体积（m3/mol）：86.0 3、 等张比容（90.2K）：226.2 4、 表面张力（dyne/cm）：47.8 5、 介电常数（F/m）：无可用 6、 偶极距（D）：无可用 7、 极化率（10 -24cm 3）：10.75 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积34.1 7.重原子数量:8 8.表面电荷:0 9.复杂度:149 10.同位素原子数量:4 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/mLat 25°C）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：113-115 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,760mmHg）：未确定 7. 折射率（n20/D）：未确定 8. 闪点（ºC）：未确定 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（hPa,21.1ºC）：未确定 12. 饱和蒸气压（kPa,114.4 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（MPa）：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 |
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SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: p-Benzoquinone-d4 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.: 2237-14-1 SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 3), H301 Acute toxicity, Inhalation (Category 3), H331 Skin irritation (Category 2), H315 Eye irritation (Category 2), H319 Specific target organ toxicity - single exposure (Category 3), H335 Acute aquatic toxicity (Category 1), H400 For the full text of the H-Statements mentioned in this Section, see Section 16. Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordDanger Hazard statement(s) Toxic if swallowed. Causes skin irritation. Causes serious eye irritation. Toxic if inhaled. May cause respiratory irritation. Very toxic to aquatic life. Precautionary statement(s) Avoid breathing dust. Avoid release to the environment. P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/ physician. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances Chemical characterization : Isotopically labeled Synonyms: 1,4-Benzoquinone-d4 Formula: C6D4O2 Molecular Weight: 112,12 g/mol CAS-No.: 2237-14-1 No components need to be disclosed according to the applicable regulations. 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. Take victim immediately to hospital. 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 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 Wear respiratory protection. 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 Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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. Store under inert gas. hygroscopic 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 Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product. 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 N99 (US) or type P2 (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 Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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: 113 - 115 °C - lit. point f) Initial boiling point and no data available boiling range g) Flash point77,00 °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 pressure0,1 hPa at 25,00 °C l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 0,200 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 no data available Incompatible materials Reacts violently with:, Strong oxidizing agents 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 Inhalation: no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available 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 May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, prolonged or repeated exposure can cause:, Damage to the eyes. SECTION 12: Ecological information Toxicity Toxicity to fishLC50 - Oncorhynchus mykiss (rainbow trout) - 0,04 - 0,125 mg/l - 96,0 h 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 Very toxic to aquatic life. 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: 2587IMDG: 2587IATA: 2587 UN proper shipping name ADR/RID: BENZOQUINONE IMDG: BENZOQUINONE IATA:Benzoquinone Transport hazard class(es) ADR/RID: 6.1IMDG: 6.1IATA: 6.1 Packaging group ADR/RID: IIIMDG: IIIATA: II Environmental hazards ADR/RID: yesIMDG Marine pollutant: yesIATA: 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 Further information 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 SECTION 16 - ADDITIONAL INFORMATION N/A |
| 符号 |
GHS06, GHS09 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H301-H315-H319-H331-H335-H400 |
| 警示性声明 | P261-P273-P301 + P310-P305 + P351 + P338-P311 |
| 危害码 (欧洲) | T: Toxic; |
| 风险声明 (欧洲) | R23/24/25 |
| 安全声明 (欧洲) | 26-36/37/39-45 |
| 危险品运输编码 | UN 2587 6.1/PG 2 |
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2237-14-1 |
| 文献：Tsuzuki, Hirohisa; Iyama, Hironobu; Tsukinoki, Takehito; Mukumoto, Mamoru; Yonemitsu, Tadashi; et al. Journal of Chemical Research, Miniprint, 1994 , # 8 p. 1701 - 1716 |
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2237-14-1 |
| 文献：Zhao; Imahori; Zhan; Sakata; Iwata; Kitagawa Journal of Physical Chemistry A, 1997 , vol. 101, # 4 p. 622 - 631 |
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2237-14-1 |
| 文献：Gragerow; Mikluchin Zhurnal Fizicheskoi Khimii, 1950 , vol. 24, p. 582,585 Chem.Abstr., 1950 , p. 8711 |
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2237-14-1 |
| 文献：Tsuzuki, Hirohisa; Iyama, Hironobu; Tsukinoki, Takehito; Mukumoto, Mamoru; Yonemitsu, Tadashi; et al. Journal of Chemical Research, Miniprint, 1994 , # 8 p. 1701 - 1716 |
| 上游产品 4 | |
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| 下游产品 0 | |