2-Bromobenzoic Acid 2-溴苯甲酸

CAS 88-65-3 MFCD00002402

化学结构图

88-65-3
SMILES: O=C(O)C1CCCCC1Br

化学属性

Mol. FormulaC7H5BrO2
Mol. Weight201.02
Density1.929
Vapor Pressure>;1 mmHg ( 20 °C)
Melting Point147-150°C
TSCAYes
Solubility略溶于水
Stability对光敏感
Flash Point>100°C
Appearance 白色结晶，熔点：MP148-150, 微溶于水。
Boiling Point86 °C at 4-5 mmHg

别名和识别编码

Chemical Name2-Bromobenzoic Acid
CAS Number88-65-3
EC Number201-848-6
Beilstein Registry Number9,347
MDL NumberMFCD00002402
Synonym 2-Bromobenzoic acid {LY} 2-Bromobenzoic acid {} {LY} 2-Bromobenzoic acid {} {} {LY} 2-Bromobenzoic acid {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87563571
Reaxys-RN971266
Chemical Name Translation2-溴苯甲酸
LabNetwork Molecule IDLN00008099
InChIInChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESO=C(O)C1=CC=CC=C1Br
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment

产品应用

  • 有机合成。

相关文献及参考

  • Short: II/27B
  • Beilstein:9,347
  • Forms a dimetallated derivative with n-BuLi, which reacts with electrophiles preferentially at the ortho-carbon: J. Org. Chem., 39, 2051, 2053 (1974); e.g. with aroyl halides leads to 2-carboxybenzophenones which can be cyclized by acid to substituted anthraquinones: J. Org. Chem., 46, 1057 (1981).
  • Short: II/27C
  • The Br can be displaced by malonate-type carbanions, in the presence of Cu catalysts: Angew. Chem. Int. Ed., 13, 340 (1974). For coupling with Na 2,4-pentanedionate, see: Org. Synth. Coll., 6, 36 (1988).

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36 Irritating to eyes 刺激眼睛
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDG4448035
Hazard Codes Xn Xi
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD - 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: 5,7,1953

其他信息

  • 毒性分级:中毒
  • 溶于乙醇、乙醚、丙酮、氯仿和热水，微溶于冷水。沸点升华。
  • 上游原料:氧 --> 2-溴甲苯
  • MSDS 信息:2-Bromobenzoic acid(88-65-3).msds
  • 2-溴苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010238 邻溴苯甲酸 100g 360元 2011/04/16 B0552 2-溴苯甲酸 2-Bromobenzoic Acid 500G 2630元 2011/04/16 B0552 2-溴苯甲酸 2-Bromobenzoic Acid 25G 312元
  • Sigma Aldrich:88-65-3(sigmaaldrich)
  • Hazard Note:Irritant
  • 检测方法:GC,NMR
  • 可燃性危险特性:热分解排出有毒溴化物气体
  • 储运特性:库房通风,低温,干燥
  • MOL 文件:88-65-3.mol
  • TCI Shanghai:2-溴苯甲酸 2-Bromobenzoic Acid,>;98.0%(GC)(T)(88-65-3)
  • 图谱信息:2-溴苯甲酸(88-65-3)红外图谱(IR1) 2-溴苯甲酸(88-65-3)红外图谱(IR2) 2-溴苯甲酸(88-65-3)核磁图( 13 CNMR) 2-溴苯甲酸(88-65-3)核磁图( 1 HNMR) 2-溴苯甲酸(88-65-3)质谱(MS)
  • Acros Organics:2-溴苯甲酸 2-Bromobenzoic acid, 97%(88-65-3)
  • 海关编码:29163900
  • 类别:有毒物质
  • 蒸气压:>;1 mm Hg ( 20 °C)
  • 灭火剂:水, 沙土, 二氧化碳, 干粉和泡沫
  • 急性毒性:口服-大鼠 LD: >; 500 毫克/公斤
  • 用途一:用于有机合成
  • 下游产品:2-溴-5-硝基苯甲酸 --> 4-氯-2-苯基喹唑啉 --> 2-苯基-4-[3H]喹唑啉酮
  • Alfa Aesar:2-溴苯甲酸,98% 2-Bromobenzoic acid, 98%(88-65-3)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C6

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