Chloroacetyl Isocyanate 氯乙酰异氰酸酯

CAS 4461-30-7 MFCD00002034

化学结构图

4461-30-7
SMILES: O=C=NC(=O)CCl

化学属性

Mol. FormulaC3H2ClNO2
Mol. Weight120
Density1.403 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.463(lit.)
Flash Point61°(141°F)
TSCANo
Boiling Point50-55 °C/20 mmHg(lit.)

别名和识别编码

Chemical NameChloroacetyl Isocyanate
Synonym Acetyl isocyanate, chloro- Chloracetylisocyanat Chloro-acetyl isocyanate chloroacetyl isocyanate {} {uni_hamburg} 氯乙酰异氰酸酯
MDL NumberMFCD00002034
CAS Number4461-30-7
EC Number224-715-4
Merck Number14,2117
Beilstein Registry Number1904273
PubChem Substance ID78209
Chemical Name Translation氯乙酰异氰酸酯
LabNetwork Molecule IDLN02145096
InChIInChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2
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分类

  • {uni_hamburg} no charge; amide; isocyanate; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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
  • Acyl isocyanates react with Grignard reagents to give N-(chloroacetyl)amides which are readily cleaved by methanolic base or zinc in methanol to give high yields of primary carboxamides: Tetrahedron Lett., 981 (1975). Reaction with amines gives N-substituted-N'-(chloroacetyl)ureas which can also be cleaved regioselectively to N-monosubstituted ureas: Chem. Pharm. Bull., 40, 575 (1992). See also Appendix 3.

安全信息

Packing GroupII
UN Number UN2922
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R14 Reacts violently with water 遇水会猛烈反应
  • R34 Causes burns 会导致灼伤
  • R23 Toxic by inhalation 吸入有毒
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；
  • S36/37/39 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；
  • 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）；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
Storage condition Moisture Sensitive
GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
  • P301+P310
  • P301+P330+P331
  • P303+P361+P353
  • P304+P340
  • P304+P341
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P342+P311
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard Codes T

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. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Imines/Amidines
  1. Functional Group 官能团索引
  2. isocyanate

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