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| 中文名 | 4-异氰酸基二苯甲酮 |
|---|---|
| 英文名 | (4-isocyanatophenyl)-phenylmethanone |
| 英文别名 |
4-isocyanato-benzophenone
MFCD03701599 4-Isocyanato-benzophenon 4-benzophenone isocyanate (4-isocyanato-phenyl)-phenyl-methanone |
| 密度 | 1.11g/cm3 |
|---|---|
| 沸点 | 357ºC at 760 mmHg |
| 熔点 | 69-73ºC(lit.) |
| 分子式 | C14H9NO2 |
| 分子量 | 223.22700 |
| 闪点 | 147.1ºC |
| 精确质量 | 223.06300 |
| PSA | 46.50000 |
| LogP | 2.88490 |
| 折射率 | 1.58 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 疏水参数计算参考值（XlogP）：4.2 2、 氢键供体数量：0 3、 氢键受体数量：3 4、 可旋转化学键数量：3 5、 拓扑分子极性表面积（TPSA）：46.5 6、 重原子数量：17 7、 表面电荷：0 8、 复杂度：306 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 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:3 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46.5 7.重原子数量:17 8.表面电荷:0 9.复杂度:306 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：固体 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：69-73 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
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Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product name: 4-Isocyanatobenzophenone Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture According to Regulation (EC) No1272/2008 Acute toxicity, Inhalation (Category 4) Acute toxicity, Dermal (Category 4)
Acute toxicity, Oral (Category 4) Skin irritation (Category 2) Eye irritation (Category 2) Respiratory sensitization (Category 1) Specific target organ toxicity - single exposure (Category 3) According to European Directive 67/548/EEC as amended. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. May cause sensitization by inhalation. Label elements Pictogram Signal wordDanger Hazard statement(s) Harmful if swallowed. Harmful in contact with skin. Causes skin irritation. Causes serious eye irritation. Harmful if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. May cause respiratory irritation. Precautionary statement(s) Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. Wear protective gloves/ protective clothing. 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. Hazard symbol(s) XnHarmful R-phrase(s) R20/21/22Harmful by inhalation, in contact with skin and if swallowed. R36/37/38Irritating to eyes, respiratory system and skin. R42May cause sensitization by inhalation. S-phrase(s) S23Do not breathe vapour. S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36Wear suitable protective clothing. Other hazards Lachrymator. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Formula: C14H9NO2 Molecular Weight: 223,23 g/mol CAS-No.EC-No.Index-No.ClassificationConcentration 4-Isocyanatobenzophenone ---Acute Tox. 4; Skin Irrit. 2; Eye- Irrit. 2; Resp. Sens. 1; STOT SE 3; H302, H312, H315, H319, H332, H334, H335 Xn, R20/21/22 - R36/37/38 - R42 For the full text of the H-Statements mentioned in this Section, see Section 16. Section4. 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. Section5. FIRE-FIGHTING MEASURES Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters Wear self contained breathing apparatus for fire fighting if necessary. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions 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. 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 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 Store under inert gas. Moisture sensitive. Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Personal protective equipment 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). Hand 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. Eye 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 and 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. Hygiene measures Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Section9. PHYSICAL AND CHEMICAL PROPERTIES Appearance Formliquid Safety data pH no data available Melting point69 - 73 °C - lit. Boiling pointno data available Flash pointno data available Ignition temperatureno data available Lower explosion limitno data available Upper explosion limitno data available Water solubilityno data available Section10. STABILITY AND REACTIVITY Chemical stability Stable under recommended storage conditions. Conditions to avoid Avoid moisture. Materials to avoid Strong oxidizing agents Hazardous decomposition products Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx) Section11. TOXICOLOGICAL INFORMATION Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization May cause allergic respiratory reaction. 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 Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationHarmful if inhaled. Causes respiratory tract irritation. Ingestion Harmful if swallowed. SkinHarmful if absorbed through skin. Causes skin irritation. Eyes Causes serious eye irritation. Signs and Symptoms of Exposure burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting 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 PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS 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 ADR/RID Not dangerous goods IMDG Not dangerous goods IATA Not dangerous goods Section15. REGULATORY INFORMATION 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 handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 符号 |
GHS07, GHS08 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H302-H312-H315-H319-H332-H334-H335 |
| 警示性声明 | P261-P280-P305 + P351 + P338-P342 + P311 |
| 个人防护装备 | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | Xn |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2929109000 |
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| 文献：Bioorganic and Medicinal Chemistry, , vol. 22, # 8 p. 2416 - 2426 |
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| 文献：Organic Letters, , vol. 7, # 2 p. 311 - 314 |
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| 文献：Synthesis, , # 8 p. 638 - 640 |
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| 文献：Justus Liebigs Annalen der Chemie, , vol. 311, p. 148 |
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| 文献：Justus Liebigs Annalen der Chemie, , vol. 311, p. 148 |
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| 文献：Justus Liebigs Annalen der Chemie, , vol. 311, p. 148 |
| 上游产品 4 | |
|---|---|
| 下游产品 0 | |
| 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% |
