6949-23-1

• 常用中文名：4-甲基-3-硝基苯磺酰胺
• 常用英文名：4-Methyl-3-nitrobenzenesul fonamide
• CAS号：6949-23-1
• 分子式：C₇H₈N₂O₄S
• 分子量：216.21400
• 相关类别： 有机原料 氨基化合物 酰胺类化合物
• 发布时间：2018-04-27 08:00:00
• 更新时间：2024-01-03 00:30:09
• 下载msds

名称

• 中文名: 4-甲基-3-硝基苯磺酰氨
• 英文名: 4-Methyl-3-nitrobenzenesulfonamide
• 中文别名: 4-甲基-3-硝基苯磺酰胺
• 英文别名: 4-methyl-3-nitrobenzenesulfonamide; EINECS 230-117-4; MFCD00460611

物化性质

• 密度: 1.475 g/cm3
• 沸点: 399.7ºC at 760 mmHg
• 熔点: 144°C
• 分子式: C₇H₈N₂O₄S
• 分子量: 216.21400
• 闪点: 195.5ºC
• 精确质量: 216.02000
• PSA: 114.36000
• LogP: 2.85490
• 外观性状: 白色至黄褐色的固体,粉末,晶体结晶粉末和/或大块
• 折射率: 1.596
• 储存条件: 室温，密闭，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:5

  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114

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:316

  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）：144

  沸点（ºC,常压）：不可用

  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

Material Safety Data Sheet Section1. Identification of the substance Product Name: 4-Methyl-3-nitrobenzenesulfonamide 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 P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:4-Methyl-3-nitrobenzenesulfonamide CAS number:6949-23-1 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate Eye contact: 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. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. 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 Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula: C7H8N2O4S Molecular weight: 216.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, 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: 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。

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): 36/37/38
• 安全声明 (欧洲): S26
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2935009090

合成路线

99170-74-8 ~85% 6949-23-1

文献：Xu, Liang; Zhang, Suhong; Trudell, Mark L. Synlett, 2004 , # 11 p. 1901 - 1904

54090-41-4 ~% 6949-23-1

文献：Justus Liebigs Annalen der Chemie, , vol. 145, p. 19,21

616-83-1 ~% 6949-23-1

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 24, p. 195 - 198 Zhurnal Organicheskoi Khimii, , vol. 24, # 1 p. 217 - 220

877-99-6 120893-18-7 119-26-6 ~% 120893-20-1 详细

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 24, p. 195 - 198 Zhurnal Organicheskoi Khimii, , vol. 24, # 1 p. 217 - 220

4694-12-6 120893-18-7 149-73-5 ~% 6949-23-1 详细

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 26, # 4 p. 711 - 715 Zhurnal Organicheskoi Khimii, , vol. 26, # 4 p. 830 - 835

上下游产品

上游产品  7
54090-41-4 616-83-1 877-99-6 120893-18-7
119-26-6 4694-12-6 149-73-5
下游产品  1
25096-72-4

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%