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Substance Name: 1,3-Benzenedicarboxylic acid, 5-chloro-
RN: 2157-39-3
InChIKey: PLPFTLXIQQYOMW-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-Cl-O4

Molecular Weight

  • 200.577
 
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Names and Synonyms

Synonym

  • EINECS 218-468-1

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 5-chloro-
  • 5-Chloroisophthalic acid

Registry Numbers

CAS Registry Number

  • 2157-39-3

System Generated Number

  • 0002157393

Structure Descriptors

InChI

1S/C8H5ClO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

PLPFTLXIQQYOMW-UHFFFAOYSA-N

Smiles

O=C(O)c1cc(cc(C(=O)O)c1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.400 (none)   EST
Water Solubility 290 mg/L 15 EXP
Atmospheric OH Rate Constant 1.14E-12 cm3/molecule-sec 25 EST

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