707-60-8

• 常用中文名：4-溴-N,N-二甲基苯磺酰胺
• 常用英文名：4-BROMO-N,N-DIMETHYLBENZENESULFONAMIDE
• CAS号：707-60-8
• 分子式：C₈H₁₀BrNO₂S
• 分子量：264.139
• 相关类别： 原料药 人工合成抗感染类药 磺胺类药及增效剂
• 发布时间：2018-06-16 18:16:43
• 更新时间：2024-01-10 08:26:48

名称

• 中文名: 4-溴-N,N-二甲基苯磺酰胺
• 英文名: 4-Bromo-N,N-dimethylbenzenesulfonamide
• 中文别名: 4-溴-N,N-二甲基苯磺胺
• 英文别名: 4-bromo-benzenesulfonic acid dimethylamide; Benzenesulfonamide,4-bromo-N,N-dimethyl; Benzenesulfonamide, 4-bromo-N,N-dimethyl-; 4-Brom-benzolsulfonsaeure-dimethylamid; 4-Bromo-N,N-DiMethyl-Benzenesulfonamide; 4-BROMO-N,N-DIMETHYLBENZENESULFONAMIDE; MFCD00017834; BENZENESULFONAMIDE,p-BROMO-N,N-DIMETHYL; n,n-dimethyl 4-bromobenzenesulfonamide; 4-bromo-N,N-dimethylbenzenesulphonamide; p-Bromo-N,N-dimethylbenzenesulfonamide; 1-bromo-N,N-dimethylbenzenesulfonamide; 4-Bromobenzenedimethylsulfonamide

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 329.0±44.0 °C at 760 mmHg
• 熔点: 88-90ºC
• 分子式: C₈H₁₀BrNO₂S
• 分子量: 264.139
• 闪点: 152.8±28.4 °C
• 精确质量: 262.961548
• PSA: 45.76000
• LogP: 2.38
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.573
• 储存条件:

  存放在密封容器内，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。

• 分子结构:

  1、 摩尔折射率：56.42

  2、 摩尔体积（m³/mol）：171.1

  3、 等张比容（90.2K）：440.7

  4、 表面张力（dyne/cm）：43.9

  5、 介电常数（F/m）：

  6、 偶极距（D）：

  7、 极化率（10 ^-24cm ³）：22.37

• 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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积45.8

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:250

  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：白色粉末。

  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）：未确定

  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）：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

Material Safety Data Sheet Section1. Identification of the substance N,N-Dimethyl 4-bromobenzenesulfonamide Product Name: Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray Wear protective gloves/protective clothing/eye protection/face protection P280: P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing P405:Store locked up Section3. Composition/information on ingredients. N,N-Dimethyl 4-bromobenzenesulfonamide Ingredient name: CAS number:707-60-8 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Ingestion: Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C8H10BrNO2S Molecular weight:264.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 、急性毒性：小鼠（腹膜）LD50： 1mg/kg； 大鼠（口服）LD50：500 mg/kg 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: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : DB0700000 CHEMICAL NAME : Benzenesulfonamide, p-bromo-N,N-dimethyl- CAS REGISTRY NUMBER : 707-60-8 BEILSTEIN REFERENCE NO. : 2838162 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C8-H10-Br-N-O2-S MOLECULAR WEIGHT : 264.16 WISWESSER LINE NOTATION : ER DSWN1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,41,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,548,1965

安全

• 危害码 (欧洲): Xi
• RTECS号: DB0700000
• 海关编码: 2935009090

合成路线

124-40-3 98-58-8 ~95% 707-60-8

文献：ELI LILLY AND COMPANY Patent: WO2004/9086 A1, 2004 ; Location in patent: Page/Page column 60 ; WO 2004/009086 A1

506-59-2 98-58-8 ~34% 707-60-8

文献：MERCK and CO., INC.; SUNESIS PHARMACEUTICALS, INC. Patent: WO2006/44497 A2, 2006 ; Location in patent: Page/Page column 130 ; WO 2006/044497 A2

106-53-6 68-12-2 ~56% 707-60-8

文献：Huang, Xin; Wang, Jichao; Ni, Zhangqin; Wang, Sichang; Pan, Yuanjiang Chemical Communications, 2014 , vol. 50, # 35 p. 4582 - 4584

108-86-1 124-40-3 ~% 707-60-8

文献：Journal fuer Praktische Chemie (Leipzig), , vol. 331, # 6 p. 1011 - 1013

海关

海关编码	2935009090
中文概述	2935009090 其他磺（酰）胺. 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:35.0%
申报要素	品名, 成分含量, 用途
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%