Benzoic acid, 4-(trichloromethyl)-, methyl ester

CAS Registry Number®

14815-87-3
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CAS Name

Benzoic acid, 4-(trichloromethyl)-, methyl ester

Molecular Formula

C9H7Cl3O2

Molecular Mass

253.51

Cite this Page

Benzoic acid, 4-(trichloromethyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14815-87-3 (retrieved 2024-04-23) (CAS RN: 14815-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    49.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7Cl3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3

InChIKey

InChIKey=PWFPDRYHJFGZDV-UHFFFAOYSA-N

SMILES

C(Cl)(Cl)(Cl)C1=CC=C(C(OC)=O)C=C1

Canonical SMILES

O=C(OC)C1=CC=C(C=C1)C(Cl)(Cl)Cl

Other Names for this Substance

  • Benzoic acid, 4-(trichloromethyl)-, methyl ester
  • p-Toluic acid, α,α,α-trichloro-, methyl ester
  • 4-(Trichloromethyl)benzoic acid methyl ester
  • Methyl p-(trichloromethyl)benzoate
  • p-(Methoxycarbonyl)benzotrichloride

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