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Substance Name: Ethyl 4-bromobenzoate
RN: 5798-75-4
UNII: 58G35541Q1
InChIKey: XZIAFENWXIQIKR-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-Br-O2

Molecular Weight

  • 229.072
 
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Names and Synonyms

Results Name

  • Ethyl 4-bromobenzoate

Name of Substance

  • Ethyl 4-bromobenzoate

Synonyms

  • AI3-11086
  • EINECS 227-347-2
  • Ethyl 4-bromobenzoate
  • Ethyl p-bromobenzoate
  • NSC 67387
  • p-(Ethoxycarbonyl)phenyl bromide
  • UNII-58G35541Q1

Systematic Names

  • Benzoic acid, 4-bromo-, ethyl ester
  • Benzoic acid, p-bromo-, ethyl ester (8CI)
  • Ethyl 4-bromobenzoate

Registry Numbers

CAS Registry Number

  • 5798-75-4

FDA UNII

  • 58G35541Q1

System Generated Number

  • 0005798754

Structure Descriptors

InChI

1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey

XZIAFENWXIQIKR-UHFFFAOYSA-N

Smiles

c1(C(OCC)=O)ccc(Br)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 263 deg C   EXP
log P (octanol-water) 3.210 (none)   EST
Atmospheric OH Rate Constant 2.06E-12 cm3/molecule-sec 25 EST

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