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-Bromobenz
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


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