2-Hydroxy-6-Phenyl-4-(Trifluoromethyl)Nicotinonitrile 2-羟基-6-苯基-4-(三氟甲基)烟腈
CAS 3335-44-2 MFCD00474273
化学结构图
SMILES: N#Cc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O
化学属性
| Mol. Formula | C13H7F3N2O |
|---|---|
| Mol. Weight | 264.20 |
| Melting Point | >;300 °C(lit.) |
别名和识别编码
| Chemical Name | 2-Hydroxy-6-Phenyl-4-(Trifluoromethyl)Nicotinonitrile |
|---|---|
| CAS Number | 3335-44-2 |
| Alfabeta Name | OXOPHENYLTRIFLUOROMETHYLDIHYDROPYRIDINECARBONITRILE 264123()---------, |
| MDL Number | MFCD00474273 |
| Synonym | 2-OXO-6-PHENYL-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 6-苯基-3-氰基-4-三氟甲基-吡啶基-2-酮 1,2-二氢-2-羰基-6-苯基-4-(三氟甲基)3-吡啶甲腈 |
| PubChem Substance ID | 2726227 |
| Chemical Name Translation | 2-羟基-6-苯基-4-(三氟甲基)烟腈 |
| LabNetwork Molecule ID | LN00145764 |
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19) |
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分类
- {KO} Nitriles
- Building Blocks, C13 to C40, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
- {SNA} Building Blocks, C13 to C15, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
安全信息
Warnings
IRRITANT
WGK Germany3
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes
Xi
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
1
LogP
1
其他信息
- Sigma Aldrich:3335-44-2(sigmaaldrich)
- 上游原料:甲醇 --> 丙二腈 --> 苯甲酰三氟丙酮
- Hazard Note:Irritant
- Acros Organics:2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 97%(3335-44-2)
- MOL 文件:3335-44-2.mol
- 2-OXO-6-PHENYL-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 RH02143DA 2-hydroxy-6-phenyl-4-(trifluoromethyl)nicotinonitrile 1 GR 630元
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