Chem
J-GLOBAL ID：200907027175928516   Nikkaji number：J26.889E

4-(Chloromethyl)benzoic acid

4-(クロロメチル)安息香酸
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： C8H7ClO2
Molecular formula furigana： C8-H7-CL-O2
Molecular weight： 170.590
InChI： InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI key： OITNBJHJJGMFBN-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(CCl)cc1
Systematic name  (4)：
  • α-クロロ-p-トルイル酸
  • 4-(クロロメチル)安息香酸
  • 4-クロロメチル安息香酸
  • 4-(chloromethyl)benzoic acid
Other name (2)：
  • 4-(Chloromethyl)benzoic acid
  • 4-Chloromethylbenzoic acid
CAS registry number： 1642-81-5
Regulation number (2)：
  • 4-(4)-206
  • EINECS2166971
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