4-Chlorophenacylcyanide 4-氯苯甲酰乙腈

CAS 4640-66-8 MFCD00051625

化学结构图

4640-66-8
SMILES: N#CCC(=O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC9H6ClNO
Mol. Weight179.60
Melting Point129-133°C
TSCANo
Refractive index1.422-1.424
Boiling Point349.3±22.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Chlorophenacylcyanide
CAS Number4640-66-8
Alfabeta NameCHLOROBENZOYLACETONITRILE 4-
MDL NumberMFCD00051625
Synonym 4-Chlorophenacylcyanide {LY} 4-Chlorophenacylcyanide {} {LY} 4-Chlorophenacylcyanide {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenacylcyanide {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number743368
PubChem Substance ID172089126
Chemical Name Translation4-氯苯甲酰乙腈
Reaxys-RN743368
InChIKeyJYOUFPNYTOFCSJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00118591
Canonical SMILESClC1=CC=C(C(CC#N)=O)C=C1
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分类

  • {KO} Nitriles
  • Aromatics
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Romagnoli, R., et al.: J. Med. Chem., 51, 5875 (2008),
  • Vicente, E., et al.: Eur. J. Med. Chem., 43, 1903 (2008),

安全信息

Warnings IRRITANT, IRRITANT-HARMFUL
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
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
WGK Germany3
GHS Symbol
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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
  • P302+P350
Signal word
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
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi,T Xi
Packing GroupIII
UN Number 3276
Storage condition -20°C {LY} -20°C 0-10°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
2
Rotatable Bonds
2
LogP
1

其他信息

  • 对氯苯乙酰腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A12364 4-氯苯甲酰乙腈, 98% 4-Chlorobenzoylacetonitrile, 98% 5g 644元 2010/05/25 A12364 4-氯苯甲酰乙腈, 98% 4-Chlorobenzoylacetonitrile, 98% 25g 2408元 2010/05/25 A12364 4-氯苯甲酰乙腈, 98% 4-Chlorobenzoylacetonitrile, 98% 100g 8442元
  • MOL 文件:4640-66-8.mol
  • Sigma Aldrich:4640-66-8(sigmaaldrich)
  • Acros Organics:对氯苯乙酰腈 4-Chlorobenzoylacetonitrile, 98%(4640-66-8)
  • Alfa Aesar:4-氯苯甲酰乙腈,98% 4-Chlorobenzoylacetonitrile, 98%(4640-66-8)

系列性分类


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