102170-56-9

• 常用中文名：2-溴-6-甲基-4-硝基苯胺
• 常用英文名：2-bromo-6-methyl-4-nitroaniline
• CAS号：102170-56-9
• 分子式：C₇H₇BrN₂O₂
• 分子量：231.04700
• 相关类别： 有机原料 氨基化合物 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 发布时间：2018-03-23 08:00:00
• 更新时间：2024-01-27 02:53:37
• 下载msds

名称

• 中文名: 2-溴-6-甲基-4-硝基苯胺
• 英文名: 2-bromo-6-methyl-4-nitroaniline
• 英文别名: 2-bromo-6-methyl-4-nitro-aniline; 2-bromo-6-methyl-4-nitro-phenylamine; MFCD00053089; m-Brom-m-nitro-o-toluidin; 2-Brom-6-methyl-4-nitro-anilin; 2-amino-3-bromo-5-nitrotoluene; 6-Brom-4-nitro-o-toluidin; 3-Brom-5-nitro-2-amino-toluol; Benzenamine,2-bromo-6-methyl-4-nitro

物化性质

• 密度: 1.698 g/cm3
• 沸点: 366ºC at 760 mmHg
• 熔点: 180-184ºC
• 分子式: C₇H₇BrN₂O₂
• 分子量: 231.04700
• 闪点: 175.2ºC
• 精确质量: 229.96900
• PSA: 71.84000
• LogP: 3.35230
• 外观性状: 黄色针状
• 蒸汽压: 1.51E-05mmHg at 25°C
• 折射率: 1.648
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：49.54

  2、 摩尔体积（m³/mol）：136.0

  3、 等张比容（90.2K）：376.7

  4、 表面张力（dyne/cm）：58.8

  5、 极化率（10^-24cm³）：19.64

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.1

  2.氢键供体数量:1

  3.氢键受体数量:3

  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71.8

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:183

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：180-184

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 2-Bromo-6-methyl-4-nitroaniline Material Safety Data Sheet Synonym: CAS: 102170-56-9 Section 1 - Chemical Product MSDS Name:2-Bromo-6-methyl-4-nitroaniline Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 102170-56-9 2-Bromo-6-methyl-4-nitroaniline unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Notes to Physician: 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: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Exposure Limits CAS# 102170-56-9: Personal Protective Equipment Eyes: Not available. 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: Solid Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 180-181 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C7H7BrN2O2 Molecular Weight: 231.05 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 102170-56-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromo-6-methyl-4-nitroaniline - Not listed by ACGIH, IARC, or NTP. 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 No information available. IMO No information available. RID/ADR No information available. 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. 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# 102170-56-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 102170-56-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 102170-56-9 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2921430090

合成路线

99-52-5 ~91% 102170-56-9

文献：Kajigaeshi, Shoji; Kakinami, Takaaki; Inoue, Kazuhisa; Kondo, Manabu; Nakamura, Hiroko; et al. Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 2 p. 597 - 599

139291-81-9 ~84% 102170-56-9

文献：O'Neill, Paul M.; Willock, David J.; Hawley, Shaun R.; Bray, Patrick G.; Storr, Richard C.; Ward, Stephen A.; Park, B. Kevin Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 437 - 448

10035-10-6 7722-84-1 99-52-5 ~% 102170-56-9

文献：Bulletin de la Societe Chimique de France, , vol. <4>35, p. 1328

上下游产品

上游产品  4
99-52-5 139291-81-9 10035-10-6 7722-84-1
下游产品  3
52488-28-5 603-78-1 61563-25-5

海关

海关编码	2921430090
中文概述	2921430090 甲苯胺及其衍生物以及它们的盐. 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, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的
Summary	HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%