3-Bromobenzoic Acid 3-溴苯甲酸

CAS 585-76-2 MFCD00002487

化学结构图

585-76-2
SMILES: O=C(O)c1cccc(Br)c1

化学属性

Mol. FormulaC7H5BrO2
Mol. Weight201.02
Density1.701
Melting Point154-158°C
TSCAYes
Solubility可溶于乙醚、乙醇、丙酮与热水。
Stability对光敏感
Boiling Point308.2°C at 760 mmHg
Appearance 无色针状结晶。熔点155℃,沸点>280℃,相对密度1.845(20℃)。溶于醇和醚,不溶于水。

别名和识别编码

Chemical Name3-Bromobenzoic Acid
Synonym 3-Bromobenzoic acid {LY} 3-Bromobenzoic acid {} {LY} 3-Bromobenzoic acid {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {}
CAS Number585-76-2
EC Number209-562-3
Beilstein Registry Number2041792
MDL NumberMFCD00002487
PubChem Substance ID87563570
Reaxys-RN2041792
Chemical Name Translation3-溴苯甲酸
LabNetwork Molecule IDLN00008309
InChIInChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESO=C(O)C1=CC=CC(Br)=C1
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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

  • Usually used as test solute in the determination of acidity constants by capillary zone electrophoresis, internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction.And also used in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide.

相关文献及参考

  • Short: II/27B
  • Beilstein:9,349
  • Short: II/27C

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S37 Wear suitable gloves 戴适当手套;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • 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
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 用途二:有机合成中间体。
  • Alfa Aesar:3-溴苯甲酸,98+% 3-Bromobenzoic acid, 98+%(585-76-2)
  • MOL 文件:585-76-2.mol
  • 图谱信息:3-溴苯甲酸(585-76-2)红外图谱(IR3) 3-溴苯甲酸(585-76-2)Raman光谱 3-溴苯甲酸(585-76-2)红外图谱(IR2) 3-溴苯甲酸(585-76-2)质谱(MS) 3-溴苯甲酸(585-76-2)红外图谱(IR1)
  • 上游原料:高锰酸钾 --> 3-溴甲基苯
  • 溶于醇和醚,不溶于水。
  • Hazard Note:Irritant
  • Acros Organics:间溴苯甲酸 3-Bromobenzoic acid, 99%(585-76-2)
  • TCI Shanghai:3-溴苯甲酸 3-Bromobenzoic Acid,>;98.0%(GC)(T)(585-76-2)
  • MSDS 信息:3-Bromobenzoic acid(585-76-2).msds
  • 下游产品:3-溴苯甲酸乙酯
  • 3-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 LA1260601 3-溴苯甲酸;间溴苯甲酸;间溴安息香酸 25g 528元 2011/04/16 B0551 3-溴苯甲酸 3-Bromobenzoic Acid 250G 3560元 2011/04/16 B0551 3-溴苯甲酸 3-Bromobenzoic Acid 25G 640元
  • 用途一:用作有机合成试剂
  • Sigma Aldrich:585-76-2(sigmaaldrich)
  • 方法一:由间溴甲苯经高锰酸钾氧化而得。将间溴甲苯、氢氧化钾及水混合,加热至沸,慢慢加入高锰酸钾,加完后回流反应4h。经过滤酸化,再过滤得粗品。然后在乙醇中用氨水溶解,用盐酸酸化,过滤,水洗得成品。

系列性分类


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