3,5-Dimethyl-1H-pyrazole-4-carboxylic acid 3,5-二甲基-吡唑-4-羧酸
CAS 113808-86-9 MFCD00159642
化学结构图
SMILES: CC1NN=C(C)C=1C(O)=O
化学属性
| Mol. Formula | C6H8N2O2 |
|---|---|
| Mol. Weight | 140 |
| Melting Point | 273-275 |
| Density | 1.422 |
别名和识别编码
| Chemical Name | 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid |
|---|---|
| CAS Number | 113808-86-9 |
| Alfabeta Name | DIMETHYLPYRAZOLECARBOXYLICACID H3514-----, |
| MDL Number | MFCD00159642 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Synonym | 1H-Pyrazole-4-carboxylicacid,3,5-dimethyl-(9CI) 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid ,97% AKOS PAO-0336 |
| Chemical Name Translation | 3,5-二甲基-吡唑-4-羧酸 |
| PubChem Substance ID | 329788716 |
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信息真实价格透明
资金保障
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分类
- Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyrazoles
- {KO} AminesSecondaryHeteroNH
- {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
- {KO} CarboxylicAcids
安全信息
GHS Symbol
- 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；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
- 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
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- 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 Donors
2
H-bond Acceptors
3
Rotatable Bonds
1
LogP
7.363000000000000e-001
