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| 中文名 | 1-溴代庚烷 |
|---|---|
| 英文名 | 1-Bromoheptane |
| 中文别名 |
溴庚烷
溴代正庚烷 1-溴庚烷 1-溴代正庚烷 正庚基溴 |
| 英文别名 |
EINECS 211-068-8
Heptane, 1-bromo- 1-Bromoheptane bromoheptane 1-n-heptylbromide Heptyl bromide 1-Heptyl bromide n-Heptyl Bromide Heptane,1-bromo n-bromoheptane MFCD00000273 1-bromo-heptane 1-bromo-n-heptane |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 178.7±3.0 °C at 760 mmHg |
| 熔点 | −58 °C(lit.) |
| 分子式 | C7H15Br |
| 分子量 | 179.098 |
| 闪点 | 60.6±0.0 °C |
| 精确质量 | 178.035706 |
| LogP | 4.34 |
| 外观性状 | 无色液体 |
| 蒸汽密度 | 6.18 (vs air) |
| 蒸汽压 | 1.3±0.3 mmHg at 25°C |
| 折射率 | 1.449 |
| 储存条件 | 存放在密封容器内，避光保存，并放在阴凉，干燥处。储存的地方必须远离氧化剂。 |
| 稳定性 | 远离氧化物。具有刺激性。避免蒸气吸入。 |
| 水溶解性 | insoluble |
| 分子结构 | 1、 摩尔折射率：42.21 2、 摩尔体积（cm3/mol）：157.2 3、 等张比容（90.2K）：362.7 4、 表面张力（dyne/cm）：28.3 5、 极化率（10-24cm3）：16.73 |
| 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:0 4.可旋转化学键数量:5 5.互变异构体数量:无 6.拓扑分子极性表面积0 7.重原子数量:8 8.表面电荷:0 9.复杂度:35.4 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：无色液体。 2. 密度（g/mL,20/4℃）：1.1347 3.相对密度（20℃，4℃）：1.1400 4. 熔点（ºC）：-58.15. 沸点（ºC,常压）：178.5 6. 常温折射率（n25）：1.4481 7. 折射率（n20ºC）：1.4502 8. 闪点（ºC）：60 9.溶度参数(J·cm-3)0.5：17.355 10.van der Waals面积（cm2·mol-1）：1.230×1010 11.van der Waals体积（cm3·mol-1）：89.450 12. 液相标准热熔(J·mol-1·K-1)：244.4 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： 易溶于乙醇和乙醚，不溶于水。 |
Synonym:Heptylbromide; Heptane, 1-bromo-; 1-Bromoheptane; n-Heptyl bromid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 37 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to respiratory system. Potential Health Effects Eye: May cause eye irritation. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin irritation. May cause irritation and dermatitis. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression. Inhalation: Causes respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. Inhalation at high concentrations may cause CNS depression and asphixiation. May cause burning sensation in the chest. Chronic: Prolonged or repeated skin contact may cause dermatitis. Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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: Treat symptomatically and supportively. 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. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. 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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 629-04-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 178 deg C Freezing/Melting Point: -58 deg C Autoignition Temperature: Not applicable. Flash Point: 60 deg C ( 140.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.1400g/cm3 Molecular Formula: C7H15Br Molecular Weight: 179.10 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 629-04-9: MI8100000 LD50/LC50: CAS# 629-04-9: Inhalation, mouse: LC50 = 12000 mg/m3/2H. Carcinogenicity: 1-Bromoheptane - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 37 Irritating to respiratory system. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 23 Do not inhale gas/fumes/vapour/spray. S 33 Take precautionary measures against static discharges. WGK (Water Danger/Protection) CAS# 629-04-9: No information available. Canada CAS# 629-04-9 is listed on Canada's DSL List. CAS# 629-04-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 629-04-9 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 1、急性毒性：小鼠（腹膜）LD50： 2,440 mg/kg 哺乳动物（物种不祥）LC50：12 mg/m3 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| 符号 |
GHS02 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H226 |
| 个人防护装备 | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
| 危害码 (欧洲) | Xi:Irritant |
| 风险声明 (欧洲) | R36/37 |
| 安全声明 (欧洲) | S23-S24/25-S37/39-S26 |
| 危险品运输编码 | UN 1993 3/PG 3 |
| WGK德国 | 3 |
| RTECS号 | MI8100000 |
| 包装等级 | III |
| 危险类别 | 3 |
| 海关编码 | 29033036 |
| 上游产品 8 | |
|---|---|
| 下游产品 10 | |
| 海关编码 | 29033036 |
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