Chem
J-GLOBAL ID：200907011517720250   Nikkaji number：J38.271J

m-Nitrobenzotrifluoride

m-ニトロベンゾトリフルオリド
Substance type：
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
Molecular formula： C7H4F3[N+]O[O-]
Molecular formula furigana： C7-H4-F3-N-O2
Molecular weight： 191.109
InChI： InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChI key： WHNAMGUAXHGCHH-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cccc(c1)C(F)(F)F
Systematic name  (10)：
  • 3-(トリフルオロメチル)-1-ニトロベンゼン
  • 3-ニトロ-α,α,α-トリフルオロトルエン
  • 1-ニトロ-3-(トリフルオロメチル)ベンゼン
  • 1-(トリフルオロメチル)-3-ニトロベンゼン
  • 1-トリフルオロメチル-3-ニトロベンゼン
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Other name (7)：
  • m-ニトロベンゾトリフルオリド
  • m-Nitrobenzotrifluoride
  • 1-Nitro-3-trifluoromethylbenzene
  • m-Nitro-α,α,α-trifluorotoluene
  • 3-Nitro-1-(trifluoromethyl)benzene
Show all
CAS registry number： 98-46-4
Regulation number (4)：
  • (3)-443
  • XT3500000
  • EINECS2026701
  • TSCA(98-46-4)
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