6952-59-6

• 常用中文名：间溴苯甲腈
• 常用英文名：3-Bromobenzonitrile
• CAS号：6952-59-6
• 分子式：C₇H₄BrN
• 分子量：182.017
• 相关类别： 化学试剂 有机试剂 氰化物/腈
• 发布时间：2018-02-28 08:00:00
• 更新时间：2024-01-02 19:46:57
•  

名称

• 中文名: 间溴苯腈
• 英文名: 3-Bromobenzonitrile
• 中文别名: 3-溴苄腈; 3-溴苯甲腈; 3-溴苯甲腈; 3-溴苯腈; 间溴苯甲腈
• 英文别名: Benzonitrile, 3-bromo-; m-bromobenzonitrile; 3-Bromobenzonitrile; Benzonitrile,m-bromo; Benzonitrile,3-bromo; MFCD00001796; NCR CE; Benzonitrile, 3-bromo- (9CI); 3-cyanobromobenzene; 1-Bromo-3-cyanobenzene; EINECS 230-127-9; 3-Bromo benzonitrile

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 225.8±13.0 °C at 760 mmHg
• 熔点: 38-40 °C(lit.)
• 分子式: C₇H₄BrN
• 分子量: 182.017
• 闪点: 90.3±19.8 °C
• 精确质量: 180.952698
• PSA: 23.79000
• LogP: 2.14
• 外观性状: 灰白色结晶粉末
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.606
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：39.04

  2、 摩尔体积（m³/mol）：113.1

  3、 等张比容（90.2K）：304.0

  4、 表面张力（dyne/cm）：52.1

  5、 极化率（10^-24cm³）：15.47

• 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:1

  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23.8

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:135

  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:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：38-41

  沸点（ºC,常压）：225

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

Name: 3-Bromobenzonitrile 99% Material Safety Data Sheet Synonym: m-Bromobenzonitrile CAS: 6952-59-6 Section 1 - Chemical Product MSDS Name:3-Bromobenzonitrile 99% Material Safety Data Sheet Synonym:m-Bromobenzonitrile Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6952-59-6 3-Bromobenzonitrile 99 230-127-9 Hazard Symbols: XN 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. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause cardiac disturbances. May cause central nervous system depression. Inhalation: Causes respiratory tract irritation. May cause cardiac abnormalities. Can produce delayed pulmonary edema. Chronic: 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 breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. Cool containers with flooding quantities of water until well after fire is out. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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 exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 6952-59-6: 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: 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: Powder and chunks Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 225 deg C @ 760 mmHg Freezing/Melting Point: 38 - 40 deg C Autoignition Temperature: Not applicable. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C7H4BrN Molecular Weight: 182.02 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents, strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6952-59-6: DI2459500 LD50/LC50: Not available. Carcinogenicity: 3-Bromobenzonitrile - 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 Shipping Name: Nitriles, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: Nitriles, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 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# 6952-59-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6952-59-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6952-59-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : DI2459500 CHEMICAL NAME : Benzonitrile, m-bromo- CAS REGISTRY NUMBER : 6952-59-6 LAST UPDATED : 198611 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C7-H4-Br-N HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H315-H319-H332-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S26-S36-S36/37/39
• 危险品运输编码: 3276
• WGK德国: 3
• RTECS号: DI2459500
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 29269095

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海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%