2-Hydroxy-4-(trifluoromethyl)-6-methylnicotinonitrile 2-羟基-4-(三氟甲基)-6-甲基烟腈
CAS 654-49-9 MFCD01314908
化学结构图
SMILES: Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
化学属性
| Mol. Formula | C8H5F3N2O |
|---|---|
| Mol. Weight | 202 |
| Melting Point | 233-237 °C(lit.) |
别名和识别编码
| Chemical Name | 2-Hydroxy-4-(trifluoromethyl)-6-methylnicotinonitrile |
|---|---|
| CAS Number | 654-49-9 |
| Alfabeta Name | METHYLOXOTRIFLUOROMETHYLDIHYDROPYRIDINECARBONITRILE 624123()---------, |
| MDL Number | MFCD01314908 |
| Synonym | 1-2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile 2-HYDROXY-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 6-甲基-3-氰基-4-三氟甲基-吡啶基-2-酮 3-CYANO-4-TRIFLUOROMETHYL-6-METHYL-PYRIDINE-2-ONE 6-PHENYL-3-CYANO-4-TRIFLUOROMETHYL-2-PY& 6-METHYL-2-OXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 3-CYANO-6-METHYL-4-(TRIFLUOROMETHYL)-2(1H)-PYRIDONE 6-METHYL-3-CYANO-4-TRIFLUOROMETHYL-2-PYRIDONE 6-甲基-3-氰基-4-三氟甲基-2-羟基吡啶 6-METHYL-2-OXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE 3-CYANO-6-METHYL-4-(TRIFLUOROMETHYL)-2-PYRIDONE 6-methyl-3-cyano-4-trifluoromethyl-pyridyl-2-one |
| PubChem Substance ID | 247440 |
| Chemical Name Translation | 2-羟基-4-(三氟甲基)-6-甲基烟腈 |
| LabNetwork Molecule ID | LN00148670 |
| InChI | InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14) |
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资金保障
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现货库存
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分类
- {KO} Nitriles
- {SNA} Building Blocks, C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
安全信息
- 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；
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- H302 Harmful if swallowed 吞食有害
- H312 Harmful in contact with skin 皮肤接触有害
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H332 Harmful if inhaled 吸入有害
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- 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。
- P301+P312
- P302+P352
- P304+P312
- P304+P340
- P305+P351+P338
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P332+P313
- P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
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
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
-2.279000000000000e-001
其他信息
- 6-甲基-3-氰基-4-三氟甲基-2-羟基吡啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 RH02138DA 6-甲基-3-氰基-4-三氟甲基-2-羟基吡啶 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile 1 GR 510元 2010/06/21 RH02138EA 6-甲基-3-氰基-4-三氟甲基-2-羟基吡啶 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile 10 GR 3975元
- Sigma Aldrich:654-49-9(sigmaaldrich)
- MOL 文件:654-49-9.mol
- Acros Organics:6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile(654-49-9)
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