2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile 2,6-二羟基-3-氰基-4-(三氟甲基)吡啶
CAS 3335-46-4 MFCD06200911
化学结构图
SMILES: N#Cc1c(C(F)(F)F)cc(O)[nH]c1=O
化学属性
| Mol. Formula | C7H3F3N2O2 |
|---|---|
| Mol. Weight | 204 |
| Melting Point | >220° |
| TSCA | No |
别名和识别编码
| Chemical Name | 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile |
|---|---|
| CAS Number | 3335-46-4 |
| Alfabeta Name | DIHYDROXYTRIFLUOROMETHYLNICOTINONITRILE 264()---, |
| MDL Number | MFCD06200911 |
| Synonym | 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine 3-cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine 3-氰基-2,6-二羟基-4-(三氟甲基)吡啶 |
| Chemical Name Translation | 2,6-二羟基-3-氰基-4-(三氟甲基)吡啶 |
| PubChem Substance ID | 2782644 |
| InChI | InChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14) |
| LabNetwork Molecule ID | LN00129186 |
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资金保障
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分类
- {KO} Nitriles
- {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
- {KO} HeteroArylOH
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；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R22 Harmful if swallowed 吞咽有害
- R25 Toxic if swallowed 吞咽有毒
- R36 Irritating to eyes 刺激眼睛
GHS Symbol
- P301+P310
- P305+P351+P338
- H319 Causes serious eye irritation 严重刺激眼睛
- H301 Toxic if swallowed 吞食有毒
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
4
Rotatable Bonds
0
LogP
2
