1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 1-甲基-3-三氟甲基-1H-吡唑-4-羧酸
CAS 113100-53-1 MFCD01936005
化学结构图
SMILES: CN1C=C(C(O)=O)C(=N1)C(F)(F)F
化学属性
| Mol. Formula | C6H5F3N2O2 |
|---|---|
| Mol. Weight | 194.11 |
| Melting Point | 201.0 to 205.0 deg-C |
| Density | 1.422 |
| TSCA | No |
别名和识别编码
| Chemical Name | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
|---|---|
| CAS Number | 113100-53-1 |
| Alfabeta Name | METHYLTRIFLUOROMETHYLPYRAZOLECARBOXYLICACID H1314()------- |
| MDL Number | MFCD01936005 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Synonym | 3-Trifluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid 3-(三氟甲基)-1-甲基-1H-吡唑-4-甲酸 |
| Chemical Name Translation | 1-甲基-3-三氟甲基-1H-吡唑-4-羧酸 |
| PubChem Substance ID | 253662321 |
| LabNetwork Molecule ID | LN00114674 |
| Reaxys-RN | 5337016 |
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资金保障
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分类
- {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
- {KO} CarboxylicAcids
- Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
安全信息
GHS Symbol
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- 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。
- P302+P352+P332+P313+P362+P364
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- P305+P351+P338+P337+P313
- H315 Causes skin irritation 会刺激皮肤
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
3
Rotatable Bonds
1
H-bond Donors
1
LogP
1
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