39115-96-3

• 常用中文名：3-溴苄肼
• 常用英文名：3-Bromobenzhydrazide
• CAS号：39115-96-3
• 分子式：C₇H₇BrN₂O
• 分子量：215.047
• 发布时间：2018-04-07 08:00:00
• 更新时间：2024-01-09 10:34:46
• 下载msds

名称

• 中文名: 3-溴苄肼
• 英文名: 3-bromobenzhydrazide
• 中文别名: 3-溴苯肼; 3-溴苯酰肼
• 英文别名: MFCD00007600; 3-Bromobenzhydrazide; 3-Bromobenzohydrazide; 3-Bromobenzoic hydrazide; EINECS 254-298-4; Benzoic acid, 3-bromo-, hydrazide

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 368.5ºC at 760 mmHg
• 熔点: 155-156°C
• 分子式: C₇H₇BrN₂O
• 分子量: 215.047
• 闪点: 176.7ºC
• 精确质量: 213.974167
• PSA: 55.12000
• LogP: 1.26
• 外观性状: 固体;White to Almost white powder to crystal
• 折射率: 1.615
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  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:2

  6.拓扑分子极性表面积55.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:151

  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：粉末

  2. 密度（g/mL,20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：155-156

  5. 沸点（ºC）：未确定

  6. 沸点（ºC, 22mm hg）：未确定

  7. 折射率：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（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：未确定

MSDS

Name: 3-Bromobenzoic hydrazide 98% Material Safety Data Sheet Synonym: CAS: 39115-96-3 Section 1 - Chemical Product MSDS Name:3-Bromobenzoic hydrazide 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39115-96-3 3-Bromobenzoic hydrazide 98% 254-298-4 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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 lids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of soap and 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 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. Extinguishing Media: In case of fire use water spray, dry chemical, carbon dioxide, or chemical foam. Autoignition Temperature: Not available. Flash Point: Not available. NFPA Rating: Not published. Explosion Limits, Lower: Not available. Upper: Not available. 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. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. 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. 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 29CFR 1910.134. Always use a NIOSH-approved respirator when necessary. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Appearance: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Vapor Density: Not available. Evaporation Rate: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 157 - 159 deg C Decomposition Temperature: Not available. Solubility: Not available. Specific Gravity/Density: Not available. Molecular Formula: C7H7BrN2O Molecular Weight: 215.06 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong 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# 39115-96-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Bromobenzoic hydrazide - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION For further information, contact Fisher Scientific. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION CDG/CPL IMO Not regulated as a hazardous material. IATA Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Canadian TDG No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 39115-96-3: Canada None of the chemicals in this product are listed on the DSL/NDSL list. WHMIS: Not available. CAS# 39115-96-3 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 39115-96-3 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

生态学数据: 对水是稍微有危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。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39-S37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2928000090

合成路线

24398-88-7 ~87% 39115-96-3

文献：SEMICONDUCTOR ENERGY LABORATORY CO., LTD. Patent: EP1972625 A1, 2008 ; Location in patent: Page/Page column 19-20 ;

618-89-3 ~84% 39115-96-3

文献：Zaheer, Muhammad; Zia-Ur-Rehman, Muhammad; Rahman, Salma; Ahmed, Naveed; Chaudhary, Muhammad Nawaz Journal of the Chilean Chemical Society, 2012 , vol. 57, # 4 p. 1492 - 1496

585-76-2 ~% 39115-96-3

文献：Khan, Mahmood-Ul-Hassan; Hameed, Shahid; Yasin, Khawaja A.; Akhtar, Tashfeen; Khan, Khalid M. Monatshefte fur Chemie, 2010 , vol. 141, # 4 p. 479 - 484

1711-09-7 ~% 39115-96-3

文献：Li, Liangjing; Ding, Hao; Wang, Baogang; Yu, Shichong; Zou, Yan; Chai, Xiaoyun; Wu, Qiuye Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 1 p. 192 - 194

489455-69-8 ~% 39115-96-3

文献：Angell, Richard M.; Angell, Tony D.; Bamborough, Paul; Brown, David; Brown, Murray; Buckton, Jacky B.; Cockerill, Stuart G.; Edwards, Chris D.; Jones, Katherine L.; Longstaff, Tim; Smee, Penny A.; Smith, Kathryn J.; Somers, Don O.; Walker, Ann L.; Willson, Malcolm Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 1 p. 324 - 328

上下游产品

上游产品  4
24398-88-7 618-89-3 585-76-2 1711-09-7
下游产品  7
3132-99-8 41491-53-6 873090-18-7 618-89-3
73713-56-1 84196-25-8 383130-99-2

海关

海关编码	2928000090
中文概述	2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%