2-(4-Chlorophenyl)nicotinaldehyde
CAS 885950-19-6 MFCD06659614
化学结构图
SMILES: O=CC1C=CC=NC=1C1C=CC(Cl)=CC=1
化学属性
| Mol. Formula | C12H8ClNO |
|---|---|
| Mol. Weight | 217.65 |
| Melting Point | 91-94° |
别名和识别编码
| Chemical Name | 2-(4-chlorophenyl)nicotinaldehyde |
|---|---|
| Alfabeta Name | CHLOROPHENYLNICOTINALDEHYDE 24()-- |
| MDL Number | MFCD06659614 |
| Synonym | 2-(4-chlorophenyl)nicotinaldehyde |
| CAS Number | 885950-19-6 |
| PubChem Substance ID | 329791521 |
| 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
GHS Symbol
- 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
- 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；
- 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
- 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
