190774-49-3

• 常用中文名：3-丁炔-1-基氯甲酸酯
• 常用英文名：but-3-ynyl carbonochloridate
• CAS号：190774-49-3
• 分子式：C₅H₅ClO₂
• 分子量：132.54500
• 发布时间：2018-08-13 08:33:25
• 更新时间：2024-01-16 20:31:09

名称

• 中文名: 3-丁炔-1-基氯甲酸酯
• 英文名: but-3-ynyl carbonochloridate
• 英文别名: but-3-yn-1-yl chloroformate; but-3-ynyl chloroformate; 3-butynyl chloroformate; 4-butynyl chloroformate; MFCD01863589; but-3-ynyl-1-oxycarbonyl chloride; 3-Butyn-1-yl chloroformate

物化性质

• 密度: 1.166 g/mL at 25ºC(lit.)
• 沸点: 149ºC(lit.)
• 分子式: C₅H₅ClO₂
• 分子量: 132.54500
• 闪点: 135 °F
• 精确质量: 131.99800
• PSA: 26.30000
• LogP: 1.38510
• 蒸汽压: 3.01mmHg at 25°C
• 折射率: n20/D 1.443(lit.)
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离热源，火焰。冷藏温度2-8ºC。

• 稳定性:

  避免与水分，强氧化剂接触。

• 分子结构:

  1、 疏水参数计算参考值（XlogP）：1.8

  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：3

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：26.3

  7、 重原子数量：8

  8、 表面电荷：0

  9、 复杂度：122

  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

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:122

  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：液体

  2. 密度（g/mL,25℃）：1.166

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：149

  6. 沸点（ºC，0.2mmHg）：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（mmHg,217ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 3-Butyn-1-yl chloroformate CAS-No.: 190774-49-3 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Acute toxicity, Inhalation (Category 3) Acute toxicity, Dermal (Category 3) Acute toxicity, Oral (Category 3) Skin corrosion (Category 1B) Classification according to EU Directives 67/548/EEC or 1999/45/EC Toxic by inhalation, in contact with skin and if swallowed. Causes burns. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H301Toxic if swallowed. H311Toxic in contact with skin. H314Causes severe skin burns and eye damage. H331Toxic if inhaled. Precautionary statement(s) P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P280Wear protective gloves/ protective clothing/ 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. P310Immediately call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R23/24/25Toxic by inhalation, in contact with skin and if swallowed. R34Causes burns. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27Take off immediately all contaminated clothing. S36/37/39Wear suitable protective clothing, gloves and eye/face protection. S45In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Other hazards Lachrymator. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C5H5ClO2 Molecular Weight: 132,55 g/mol ComponentConcentration 3-Butyn-1-yl chloroformate CAS-No.190774-49-3- Section4. 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 Take off contaminated clothing and shoes immediately. 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 Do NOT induce vomiting. 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 Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi, pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea Indication of any immediate medical attention and special treatment needed no data available Section5. 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, Hydrogen chloride gas Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature: 2 - 8 °C Handle and open container with care. Specific end use(s) no data available Section8. 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 Tightly fitting safety goggles. Faceshield (8-inch minimum). 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 respirator with multi-purpose combination (US) or type ABEK (EN 14387) 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). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 149 °C - lit. boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,166 g/cm3 at 25 °C 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 Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid Avoid moisture. Incompatible materials Strong oxidizing agentsStrong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization 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 no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects Inhalation Toxic if inhaled. Material is extremely destructive to the tissue of the mucous membranes and upper respiratory tract. IngestionToxic if swallowed. Causes burns. SkinToxic if absorbed through skin. Causes skin burns. Eyes Causes eye burns. Signs and Symptoms of Exposure Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi, pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea Additional Information RTECS: Not available Section12. 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 no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: 3489IMDG: 3489IATA: 3489 UN proper shipping name ADR/RID: TOXIC BY INHALATION LIQUID, FLAMMABLE, CORROSIVE, N.O.S. (3-Butyn-1-yl chloroformate) IMDG: TOXIC BY INHALATION LIQUID, FLAMMABLE, CORROSIVE, N.O.S. (3-Butyn-1-yl chloroformate) IATA:Toxic by inhalation liquid, flammable, corrosive, n.o.s. (3-Butyn-1-yl chloroformate) Passenger Aircraft: Not permitted for transport Cargo Aircraft: Not permitted for transport Special Provisions: “Keep away from heat” label required. Transport hazard class(es) ADR/RID: 6.1 (3, 8)IMDG: 6.1 (3, 8)IATA: 6.1 (3, 8) Packaging group ADR/RID: IIMDG: IIATA: - Environmental hazards ADR/RID: noIMDG Marine Pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): T: Toxic;C: Corrosive;
• 风险声明 (欧洲): 23/24/25-34
• 安全声明 (欧洲): 26-27-36/37/39-45
• 危险品运输编码: UN 3390 6.1/PG 1
• 海关编码: 2915900090

合成路线

75-44-5 927-74-2 ~% 190774-49-3

文献：Grigg; Savic Chemical Communications, 2000 , # 23 p. 2381 - 2382

32315-10-9 927-74-2 ~% 190774-49-3

文献：Li, Yiming; Pan, Man; Li, Yitong; Huang, Yichao; Guo, Qingxiang Organic and Biomolecular Chemistry, 2013 , vol. 11, # 16 p. 2624 - 2629

上下游产品

上游产品  3
75-44-5 927-74-2 32315-10-9
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547-65-9

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%