5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde 5-氯-1,3-二甲基-1H-吡唑-4-甲醛
CAS 27006-76-4 MFCD00052538
化学结构图
SMILES: CC1=NN(C)C(Cl)=C1C=O
化学属性
| Mol. Formula | C6H7ClN2O |
|---|---|
| Mol. Weight | 159 |
| Melting Point | 78-79 |
| TSCA | No |
| Density | 1.422 |
别名和识别编码
| Chemical Name | 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde |
|---|---|
| CAS Number | 27006-76-4 |
| Alfabeta Name | CHLORODIMETHYLPYRAZOLECARBALDEHYDE H51314-------, |
| MDL Number | MFCD00052538 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Synonym | 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
| Reaxys-RN | 637787 |
| Chemical Name Translation | 5-氯-1,3-二甲基-1H-吡唑-4-甲醛 |
| PubChem Substance ID | 329778136 |
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分类
- Building Blocks, C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
- {SNA} Building Blocks, C3-C9, C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
- {KO} Aldehydes
- {KO} ReacChlorides
安全信息
- 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；
- S37 Wear suitable gloves 戴适当手套；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
- 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。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P305+P351+P338+P337+P313
- H315 Causes skin irritation 会刺激皮肤
- H302 Harmful if swallowed 吞食有害
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 Acceptors
2
Rotatable Bonds
1
H-bond Donors
0
LogP
1
