2-(4-Chlorophenyl)acetic acid 4-氯苯乙酸

CAS 1878-66-6 MFCD00004344

化学结构图

1878-66-6
SMILES: O=C(O)Cc1ccc(Cl)cc1

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight170.59
Melting Point102-105°C
Density1.324
TSCAYes
Appearance 白色粉末结晶,熔点104-106℃
Boiling Point294.1°C at 760 mmHg

别名和识别编码

Chemical Name2-(4-Chlorophenyl)acetic acid
CAS Number1878-66-6
Alfabeta NameCHLOROPHENYLACETICACID 4-
MDL NumberMFCD00004344
Synonym 4-Chlorophenylacetic acid {LY} 4-Chlorophenylacetic acid {} {LY} 4-Chlorophenylacetic acid {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1072816
PubChem Substance ID15880
EC Number217-521-6
Reaxys-RN1072816
Chemical Name Translation4-氯苯乙酸
InChIKeyCDPKJZJVTHSESZ-UHFFFAOYSA-N
Wiswesser Line NotationQV1R DG
LabNetwork Molecule IDLN00221110
InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
Canonical SMILESOC(=O)CC1=CC=C(Cl)C=C1
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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
  • {SA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 医药中间体。

相关文献及参考

  • Short: EINECS
  • Chamberlain, V.K. et al.: Ann. Appl. Biol., 69, 65 (1971); Cai, G. et al.: Sheng. Wu. Xue., 15, 661 (1999); Pineau, T. et al.: Biochem. Pharmacol., 52, 659 (1996); Sidell, N. et al.: Br. J. Cancer, 41
  • Short: III/35E
  • Beilstein:9,448

安全信息

Precautionary statements
  • 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。
  • P304+P340+P312
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P305+P351+P338
  • P332+P313
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
  • H312+H332
Hazard Codes Xn
RTECSAG0590000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,286,1958

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:1878-66-6.mol
  • Sigma Aldrich:1878-66-6(sigmaaldrich)
  • Acros Organics:4-氯苯乙酸 4-Chlorophenylacetic acid, 98%(1878-66-6)
  • 海关编码:29163900
  • 用途一:用作医药中间体
  • F:13
  • MSDS 信息:PCPA(1878-66-6).msds
  • 图谱信息:对氯苯乙酸(1878-66-6)核磁图( 1 HNMR) 对氯苯乙酸(1878-66-6)红外图谱(IR1) 对氯苯乙酸(1878-66-6)质谱(MS) 对氯苯乙酸(1878-66-6)核磁图( 13 CNMR) 对氯苯乙酸(1878-66-6)红外图谱(IR3) 对氯苯乙酸(1878-66-6)红外图谱(IR2)
  • 检测方法:T,NMR
  • 下游产品:氰戊菊酯 --> S-氰戊菊酯 --> 溴灭菊酯 --> 6-氯-3,4-二氢-1H-2-萘酮 --> 杀虫菊酯 --> 4-氯苯乙醇
  • Alfa Aesar:4-氯苯基乙酸,98% 4-Chlorophenylacetic acid, 98%(1878-66-6)
  • 对氯苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0914 4-氯苯乙酸 4-Chlorophenylacetic Acid 25G 179元 2014/06/02 C0914 4-氯苯乙酸 4-Chlorophenylacetic Acid 500G 1590元 2010/06/21 160725000 对氯苯乙酸 4-Chlorophenylacetic acid 98% 500 GR 2583元
  • TCI Shanghai:4-氯苯乙酸 4-Chlorophenylacetic Acid,>;97.0%(T)(1878-66-6)
  • 溶于水,溶于乙醇、丙酮、乙醚,氯仿中溶解度:5%。

系列性分类


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