Chem
J-GLOBAL ID：200907034007809036
Nikkaji number：J647.668F
1-ブチル-3,5-ビス(トリフルオロメチル)-1H-1,2,4-トリアゾール
1-ブチル-3,5-ビス(トリフルオロメチル)-1H-1,2,4-トリアゾール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C8H9F6N3
Molecular formula furigana： C8-H9-F6-N3
Molecular weight： 261.171
InChI：
InChI=1S/C8H9F6N3/c1-2-3-4-17-6(8(12,13)14)15-5(16-17)7(9,10)11/h2-4H2,1H3
InChI key：
MKSPCOQBNXGGSX-UHFFFAOYSA-N
SMILES：
CCCCn1nc(nc1C(F)(F)F)C(F)(F)F
Systematic name (3)：
- 3,5-ビス(トリフルオロメチル)-1-ブチル-1H-1,2,4-トリアゾール
- 1-ブチル-3,5-ビス(トリフルオロメチル)-1H-1,2,4-トリアゾール
- 1-butyl-3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
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