trans-3-Chloroacrylic acid 反式-3-氯丙烯酸

CAS 2345-61-1 MFCD00064237

化学结构图

2345-61-1
SMILES: O=C(O)/C=C/Cl

化学属性

Mol. FormulaC3H3ClO2
Mol. Weight106.51
Melting Point84-86 °C
TSCANo
Boiling Point118.27 °C at 760 mmHg

别名和识别编码

Chemical Name(E)-3-Chloroacrylic acid
Synonym Trans-3-chloroacrylic acid {LY} Trans-3-chloroacrylic acid trans-3-chloroacrylate {} {LY} Trans-3-chloroacrylic acid {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trans-3-chloroacrylic
MDL NumberMFCD00064237
CAS Number2345-61-1
Beilstein Registry Number1720279
EC Number219-070-0
PubChem Substance ID638124
Chemical Name Translation反式-3-氯丙烯酸
InChIKeyMHMUCYJKZUZMNJ-OWOJBTEDSA-N
Wiswesser Line NotationQV1U1G
LabNetwork Molecule IDLN02135162
Canonical SMILESO=C(O)C=CCl
InChIInChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
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分类

  • {uni_hamburg} no charge; carboxylic acid; 1fragment
  • {SA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • 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
  • Dienophile giving Diels-Alder adducts from which base-induced decarboxylation with simultaneous elimination of Cl- yields alkenes, thus making it an acetylene equivalent: J. Org. Chem., 33, 4540 (1968).

安全信息

RTECSAS5960000
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
  • S36/37/39 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；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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）；
Packing GroupII
UN Number UN3261
Risk Statements
  • R34 Causes burns 会导致灼伤
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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。
  • P264+P265
  • 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。
  • 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。
  • P301+P330+P331
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Signal word Danger 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00737

Storage condition

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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
  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
  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

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