16588-26-4

• 常用中文名：3-溴-4-氯硝基苯
• 常用英文名：3-Bromo-4-chloronitrobenzene
• CAS号：16588-26-4
• 分子式：C₆H₃BrClNO₂
• 分子量：236.451
• 相关类别： 有机原料 烃类化合物及其衍生物 烃类硝化物
• 发布时间：2018-04-12 08:00:00
• 更新时间：2024-01-12 18:09:01

名称

• 中文名: 3-溴-4-氯硝基苯
• 英文名: 3-Bromo-4-Chloronitrobenzene
• 中文别名: 2-氯-5-硝基溴苯; 3-溴-4氯硝基苯
• 英文别名: Benzene, 2-bromo-1-chloro-4-nitro-; 2-Bromo-1-chloro-4-nitrobenzene; 3-BroMo-4-chloronitrobenzene; MFCD00100437

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 287.2±20.0 °C at 760 mmHg
• 熔点: 58°C
• 分子式: C₆H₃BrClNO₂
• 分子量: 236.451
• 闪点: 127.5±21.8 °C
• 精确质量: 234.903564
• PSA: 45.82000
• LogP: 3.09
• 外观性状: 固体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.619
• 储存条件: Room temperature.
• 分子结构:

  1、 摩尔折射率：45.38

  2、 摩尔体积（m³/mol）：129.4

  3、 等张比容（90.2K）：349.1

  4、 表面张力（dyne/cm）：52.9

  5、 极化率（10^-24cm³）：17.99

• 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:2

  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45.8

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:161

  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：未确定

  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）：58°C

  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

3-Bromo-4-chloronitrobenzene Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:3-Bromo-4-chloronitrobenzene Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):3-Bromo-4-chloronitrobenzene Percent:>97.0%(GC) CAS Number:16588-26-4 Chemical Formula:C6H3BrClNO2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. 3-Bromo-4-chloronitrobenzene Section5. FIRE-FIGHTING MEASURES Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Protective gloves. Hand protection: Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal - powder Very pale yellow - Pale yellow Color: Odor:No data available pH: No data available Melting point/freezing point:58 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available No data available Upper: Density:No data available Soluble in : Methanol Solubility: Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride, Products:Hydrogen bromide Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available 3-Bromo-4-chloronitrobenzene Section11. TOXICOLOGICAL INFORMATION Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2904909090

合成路线

100-00-5 ~84% 16588-26-4

文献：Kosandal, Kantilal; Rao, A. K. S. Bhujanga; Rao, C. Gundu; Singh, B. B. Organic Preparations and Procedures International, 1991 , vol. 23, # 3 p. 395 - 396

6283-25-6 ~% 16588-26-4

文献：Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, , vol. <5> 22 I, p. 823 Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, , vol. <5> 23 I, p. 283 Anm.

13296-94-1 ~% 16588-26-4

文献：Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, , vol. <5> 22 I, p. 823 Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, , vol. <5> 23 I, p. 283 Anm.

694-80-4 7697-37-2 ~% 16588-26-4 29682-39-1

文献：American Chemical Journal, , vol. 22, p. 273

上下游产品

上游产品  5
100-00-5 6283-25-6 13296-94-1 694-80-4
7697-37-2
下游产品  7
823-54-1 64230-23-5 104094-47-5 1191028-50-8
31928-46-8 851049-56-4 924651-63-8

海关

海关编码	2904909090
中文概述	2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%