3-(3-Chlorophenyl)-3-Oxopropanenitrile 3-氯苯甲酰乙腈

CAS 21667-62-9 MFCD00067891

化学结构图

21667-62-9
SMILES: N#CCC(=O)C1C=C(Cl)C=CC=1

化学属性

Mol. FormulaC9H6ClNO
Mol. Weight180
Melting Point78-83
TSCANo

别名和识别编码

Chemical Name3-(3-Chlorophenyl)-3-Oxopropanenitrile
CAS Number21667-62-9
Alfabeta NameCHLOROPHENYLOXOPROPANENITRILE 333()----
MDL NumberMFCD00067891
EC Number000-000-0
Beilstein Registry Number2414476
Synonym 3-Chlorophenacyl cyanide 3-Chlorophenacyl cyanide 3-氧代-3-(3-氯苯基)丙腈 3-氯-β-氧代苯丙烷腈
PubChem Substance ID253660661
Chemical Name Translation3-氯苯甲酰乙腈
Reaxys-RN2414476
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分类

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

安全信息

Warnings IRRITANT
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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • 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。
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Packing GroupIII
Storage condition 0-10°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

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. Cyanides/Nitriles - 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. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles