17345-77-6

• 常用中文名：4-溴邻苯二酚
• 常用英文名：4-BROMOCATECHOL
• CAS号：17345-77-6
• 分子式：C₆H₅BrO₂
• 分子量：189.007
• 相关类别： 化学试剂 有机试剂 酚类
• 发布时间：2018-03-01 08:00:00
• 更新时间：2024-01-06 17:51:12
• 有机合成中间体。 
  

名称

• 中文名: 4-溴-1,2-苯二酚
• 英文名: 4-Bromocatechol
• 中文别名: 3,4-二羟基溴苯; 4-溴苯邻二酚; 4-溴-1,2-二羟基苯; 4-溴邻苯二酚
• 英文别名: 1,2-Benzendiol, 4-bromo-; 4-BROMOCATECHOL; 4-Bromobenzene-1,2-diol; 1,2-Benzenediol, 4-bromo-; EINECS 241-370-5; 4-Bromo-1,2-benzenediol; 4-Bromo-1,2-dihydroxybenzene

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 280.5±20.0 °C at 760 mmHg
• 熔点: 87ºC
• 分子式: C₆H₅BrO₂
• 分子量: 189.007
• 闪点: 123.5±21.8 °C
• 精确质量: 187.947281
• PSA: 40.46000
• LogP: 2.26
• 外观性状: 棕色 粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.657
• 储存条件: 室温，惰性气体氛围
• 分子结构:

  1、 摩尔折射率：37.70

  2、 摩尔体积（cm³/mol）：102.4

  3、 等张比容（90.2K）：287.7

  4、 表面张力（dyne/cm）：62.2

  5、 极化率（10^-24cm³）：14.94

• 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:0

  5.互变异构体数量:8

  6.拓扑分子极性表面积40.5

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:97.1

  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：白色晶体

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：87

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：溶于乙醇、丙酮，微溶于水

MSDS

4-Bromocatechol Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4-Bromocatechol Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementCauses skin irritation Causes serious eye irritation Precautionary statements [Prevention]Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF IN EYES: 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. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4-Bromocatechol Percent:>98.0%(GC) CAS Number:17345-77-6 Synonyms:4-Bromo-1,2-dihydroxybenzene Chemical Formula:C6H5BrO2 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. 4-Bromocatechol Section4. FIRST AID MEASURES Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. 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. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: 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. 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 Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. 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 Keep container tightly closed. Store in a cool and dark place. Storage conditions: 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. Hand protection:Protective gloves. 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 Color:Slightly pale yellow - Reddish yellow Odor:No data available pH: No data available 4-Bromocatechol Section9. PHYSICAL AND CHEMICAL PROPERTIES Melting point/freezing point:87 °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, Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available 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. 4-Bromocatechol SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2908199090

合成路线

上下游产品

上游产品  9
120-80-9 2859-78-1 1761-61-1 106-41-2
91-16-7 73790-19-9 14005-14-2 56-23-5
7722-84-1
下游产品  7
210834-64-3 200959-52-0 249919-48-0 73790-19-9
16047-57-7 66373-95-3 90965-63-2

制备

将邻苯二酚溶于冰乙酸，冷却下滴加溴和冰乙酸配成的溶液。反应2h后，减压蒸除乙酸，所得粗品用溶剂溶解、活性炭脱色，分离，干燥，得成品。

海关

海关编码	2908199090
中文概述	HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 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: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%