2-(4-Chlorophenyl)nicotinaldehyde

CAS 885950-19-6 MFCD06659614

化学结构图

885950-19-6
SMILES: O=CC1C=CC=NC=1C1C=CC(Cl)=CC=1

化学属性

Mol. FormulaC12H8ClNO
Mol. Weight217.65
Melting Point91-94°

别名和识别编码

Chemical Name2-(4-chlorophenyl)nicotinaldehyde
Alfabeta NameCHLOROPHENYLNICOTINALDEHYDE 24()--
MDL NumberMFCD06659614
Synonym 2-(4-chlorophenyl)nicotinaldehyde
CAS Number885950-19-6
PubChem Substance ID329791521
Chemical Name Translation
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分类

  • {KO} Aldehydes
  • {SNA} Building Blocks, C12, C12 to C15, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P305+P351+P338
Signal word Danger
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Hazard Codes Xn
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激

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 Acceptors
2
Rotatable Bonds
2
H-bond Donors
0
LogP
3

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  6. C12 to C15 - Pyridines

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