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Substance Name: Methyl 4-chlorobenzoate
RN: 1126-46-1
UNII: M0U80J80VA
InChIKey: LXNFVVDCCWUUKC-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Name of Substance

  • Methyl 4-chlorobenzoate

Synonyms

  • AI3-23578
  • EINECS 214-420-9
  • Methyl 4-chlorobenzoate
  • Methyl p-chlorobenzoate
  • NSC 8366
  • UNII-M0U80J80VA

Systematic Names

  • Benzoic acid, 4-chloro-, methyl ester
  • Benzoic acid, p-chloro-, methyl ester (8CI)
  • Methyl 4-chlorobenzoate

Registry Numbers

CAS Registry Number

  • 1126-46-1

FDA UNII

  • M0U80J80VA

System Generated Number

  • 0001126461

Structure Descriptors

InChI

1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChIKey

LXNFVVDCCWUUKC-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)C(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43.5 deg C   EXP
log P (octanol-water) 2.87 (none)   EXP
Water Solubility 216 mg/L 25 EST
Vapor Pressure 0.091 mm Hg 25 EST
Henry's Law Constant 2.57E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.58E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.