3-Chlorobutyricacid 3-氯丁酸

CAS 1951-12-8 MFCD00020496

化学结构图

1951-12-8
SMILES: CC(Cl)CC(=O)O

化学属性

Mol. FormulaC4H7ClO2
Mol. Weight122.55
Flash Point112°C
Boiling Point112°C/20mmHg(lit.)
Refractive index1.4390 to 1.4430
Density1.190 g/mL at 20 °C(lit.)

别名和识别编码

Chemical Name3-Chlorobutyricacid
Synonym 3-Chlorobutyric acid {LY} 3-Chlorobutyric acid {} {LY} 3-Chlorobutyric acid {} {} {LY} 3-Chlorobutyric acid {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-C
MDL NumberMFCD00020496
CAS Number1951-12-8
EC Number224-029-5
Chemical Name Translation3-氯丁酸
Beilstein Registry Number2(4)823
Reaxys-RN1720571
PubChem Substance ID87565325
InChIKeyXEEMVPPCXNTVNP-UHFFFAOYSA-N
Wiswesser Line NotationQV1YG1
LabNetwork Molecule IDLN00239603
Canonical SMILESCC(CC(=O)O)Cl
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分类

  • {uni_hamburg} no charge; carboxylic acid; racemate; 1fragment

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Packing GroupIII
Hazard Codes C
Hazard Class8
UN Number 3265 UN 3265 8/PG 3
Safety Statements
  • 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；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
WGK Germany3
Risk Statements
  • R34 Causes burns 会导致灼伤
RTECSES8137500
GHS Symbol
Signal word
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P304+P340
Hazard statements
  • H227 Combustible liquid 可燃液体
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1180 mg/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   39,391,1979

Storage condition

其他信息

  • Alfa Aesar:2-氯丁酸,97% 2-Chlorobutyric acid, 97%(4170-24-5)
  • F:19
  • 2-氯丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C0146 2-氯丁酸 2-Chlorobutyric Acid 5ML 713元 2010/05/25 L20083 2-氯丁酸, 97% 2-Chlorobutyric acid, 97% 25g 595元 2010/05/25 L20083 2-氯丁酸, 97% 2-Chlorobutyric acid, 97% 100g 2002元
  • 图谱信息:2-氯丁酸(4170-24-5)核磁图( 13 CNMR) 2-氯丁酸(4170-24-5)红外图谱(IR1) 2-氯丁酸(4170-24-5)核磁图( 1 HNMR) 2-氯丁酸(4170-24-5)质谱(MS)
  • Sigma Aldrich:4170-24-5(sigmaaldrich)
  • MOL 文件:4170-24-5.mol
  • TCI Shanghai:2-氯正丁酸 2-Chlorobutyric Acid,>;90.0%(GC)(4170-24-5)
  • 2-氯丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0146 2-氯丁酸 2-Chlorobutyric Acid 5ML 392元 2010/05/25 L20083 2-氯丁酸, 97% 2-Chlorobutyric acid, 97% 25g 595元 2010/05/25 L20083 2-氯丁酸, 97% 2-Chlorobutyric acid, 97% 100g 2002元

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. C1 to C5 - Carboxylic Acids

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