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Substance Name: Benzoic acid, 4-iodo-, methyl ester
RN: 619-44-3
InChIKey: DYUWQWMXZHDZOR-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-I-O2

Molecular Weight

  • 262.041
 
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Names and Synonyms

Synonyms

  • EINECS 210-597-1
  • Methyl 4-iodobenzoate
  • Methyl p-iodobenzoate
  • NSC 9393

Systematic Names

  • Benzoic acid, 4-iodo-, methyl ester
  • Benzoic acid, p-iodo-, methyl ester (8CI)
  • Methyl 4-iodobenzoate

Registry Numbers

CAS Registry Number

  • 619-44-3

System Generated Number

  • 0000619443

Structure Descriptors

InChI

1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChIKey

DYUWQWMXZHDZOR-UHFFFAOYSA-N

Smiles

O=C(OC)c1ccc(cc1)I

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 114.8 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Atmospheric OH Rate Constant 6.31E-13 cm3/molecule-sec 25 EST

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