2-Chloro-3,4-Dimethoxybenzonitrile 2-氯-3,4-二甲氧基苯甲腈

CAS 119413-61-5 MFCD00173893

化学结构图

119413-61-5
SMILES: COC1=C(Cl)C(=CC=C1OC)C#N

化学属性

Mol. FormulaC9H8ClNO2
Mol. Weight198
Melting Point101-103°
TSCANo

别名和识别编码

Chemical Name2-Chloro-3,4-Dimethoxybenzonitrile
CAS Number119413-61-5
Alfabeta NameCHLORODIMETHOXYBENZENECARBONITRILE 234---,
MDL NumberMFCD00173893
Synonym 2-Chloro-3,4-dimethoxybenzonitrile 2-Chloroveratronitrile
Chemical Name Translation2-氯-3,4-二甲氧基苯甲腈
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分类

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

安全信息

Warnings IRRITANT
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
Packing GroupIII
UN Number UN3439
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
  • 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

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
3
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
  6. C8 to C9 - Cyanides/Nitriles

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