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| 中文名 | 4-溴-2-甲基异氰酸苯酯 |
|---|---|
| 英文名 | 4-bromo-2-methylphenyl isocyanate |
| 中文别名 | 4-溴-2-甲基苯基异氰酸酯 |
| 英文别名 |
4-bromo-1-isocyanato-2-methylbenzene
4-Bromo-2-methylphenyl isocyanate MFCD00037039 |
| 密度 | 1.44 g/cm3 |
|---|---|
| 沸点 | 254.7ºCat 760 mmHg |
| 熔点 | 47-50 °C(lit.) |
| 分子式 | C8H6BrNO |
| 分子量 | 212.04300 |
| 闪点 | >230 °F |
| 精确质量 | 210.96300 |
| PSA | 29.43000 |
| LogP | 2.72480 |
| 蒸汽压 | 0.017mmHg at 25°C |
| 折射率 | 1.571 |
| 储存条件 | 储存在干爽的惰性气体下，保持容器密封，储存在阴凉，干燥的地方 |
| 稳定性 | 常温常压下稳定，避免强氧化剂 水分 酒精 胺接触 |
| 分子结构 | 1、 摩尔折射率：48.13 2、 摩尔体积（m3/mol）：146.3 3、 等张比容（90.2K）：369.8 4、 表面张力（dyne/cm）：40.7 5、 介电常数（F/m）：无可用 6、 极化率（10 -24cm 3）：19.08 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3.8 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:1 5.互变异构体数量:无 6.拓扑分子极性表面积29.4 7.重原子数量:11 8.表面电荷:0 9.复杂度:177 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：白色晶体。 2. 密度（g/mL,25/4℃）： 未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：47-50 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）： 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）： >110 11. 蒸气压（kPa,25ºC）： 未确定 12. 饱和蒸气压（kPa,60ºC）： 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：可水解。 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. Storage: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1591-98-6: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 47 - 49 deg C Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C8H6BrNO Molecular Weight: 212 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, bases, alcohols, amines. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, acrid smoke and fumes, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1591-98-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Bromo-2-methylphenyl isocyanate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 1591-98-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1591-98-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1591-98-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 对眼睛、皮肤、粘膜有刺激作用 生态学数据: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境
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| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R23/25;R36/37/38;R42 |
| 安全声明 (欧洲) | S26-S36 |
| 危险品运输编码 | 2811 |
| WGK德国 | 3 |
| 包装等级 | III |
| 危险类别 | 6.1 |