2-Chlorophenylacetic acid 邻氯苯乙酸

CAS 2444-36-2 MFCD00004317

化学结构图

2444-36-2
SMILES: O=C(O)Cc1ccccc1Cl

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight170.59
Melting Point92-95°C
Density1.324
TSCANo
Boiling Point294.1°C at 760 mmHg
Flash Point145°C/5mm
Appearance 白色柱状晶体。熔点为96-98℃。

别名和识别编码

Chemical Name2-Chlorophenylacetic acid
CAS Number2444-36-2
Alfabeta NameCHLOROPHENYLACETICACID 2-
MDL NumberMFCD00004317
Beilstein Registry Number1101523
PubChem Substance ID87565969
EC Number219-482-0
Reaxys-RN1101523
Synonym (2-Chlorophenyl)acetic acid {LY} (2-Chlorophenyl)acetic acid {} {LY} (2-Chlorophenyl)acetic acid {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (2-Chlorophenyl)acetic acid {} {} {} {} {} {} {} {
Chemical Name Translation邻氯苯乙酸
LabNetwork Molecule IDLN00174754
InChIKeyIUJAAIZKRJJZGQ-UHFFFAOYSA-N
InChIInChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
Canonical SMILESO=C(O)CC1=CC=CC=C1Cl
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用作医药中间体,用于高效消炎类药物双氯灭痛的合成。

相关文献及参考

  • Short: EINECS
  • Short: III/35E
  • Beilstein:9,447

安全信息

Warnings IRRITANT
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
  • P332+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
WGK Germany3
GHS Symbol
Signal word Warning
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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
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
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Acros Organics:2-氯苯乙酸 2-Chlorophenylacetic acid, 98.5+%(2444-36-2)
  • 邻氯苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0916 2-氯苯乙酸 2-Chlorophenylacetic Acid 25G 306元 2014/06/02 C0916 2-氯苯乙酸 2-Chlorophenylacetic Acid 500G 1750元 2010/06/21 184031000 邻氯苯乙酸 2-Chlorophenylacetic acid 98.5+% 100 GR 1958元
  • 用途二:二氯芬酸的中间体。也用于高效消炎药物双氯灭痛的合成。
  • 图谱信息:邻氯苯乙酸(2444-36-2)Raman光谱 邻氯苯乙酸(2444-36-2)红外图谱(IR2) 邻氯苯乙酸(2444-36-2)质谱(MS) 邻氯苯乙酸(2444-36-2)核磁图( 13 CNMR) 邻氯苯乙酸(2444-36-2)红外图谱(IR1)
  • TCI Shanghai:2-氯苯乙酸 2-Chlorophenylacetic Acid,>;98.0%(T)(2444-36-2)
  • Sigma Aldrich:2444-36-2(sigmaaldrich)
  • F:13
  • 用途三:用作医药中间体,用于高效消炎类药物双氯灭痛的合成。
  • 用途一:用作医药中间体,用于高效消炎类药物双氯灭痛的合成
  • Hazard Note:Irritant
  • 邻氯苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C0916 2-氯苯乙酸 2-Chlorophenylacetic Acid 25G 252元 2011/04/16 C0916 2-氯苯乙酸 2-Chlorophenylacetic Acid 500G 1440元 2010/06/21 184031000 邻氯苯乙酸 2-Chlorophenylacetic acid 98.5+% 100 GR 1958元
  • 方法一:以邻氯甲苯为起始原料,经邻氯苄基氯、邻氯苯乙腈制得。
  • 检测方法:HPLC,NMR
  • 上游原料:硫酸 --> 乙酸 --> 氰化钠 --> 2-氯甲苯 --> 邻氯氯苄 --> 邻氯苯乙腈
  • 下游产品:邻羟基苯乙酸
  • Alfa Aesar:2-氯苯基乙酸,98% 2-Chlorophenylacetic acid, 98%(2444-36-2)
  • MOL 文件:2444-36-2.mol

系列性分类


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