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Substance Name: Methyl 4-chloro-2-nitrobenzoate
RN: 42087-80-9
UNII: UCG337W522
InChIKey: JWOSXVMUUBWGOL-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Cl-N-O4

Molecular Weight

  • 215.591
 
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Names and Synonyms

Name of Substance

  • Methyl 4-chloro-2-nitrobenzoate

Synonyms

  • EINECS 255-654-1
  • NSC 17028
  • UNII-UCG337W522

Systematic Name

  • Methyl 4-chloro-2-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 42087-80-9

FDA UNII

  • UCG337W522

System Generated Number

  • 0042087809

Structure Descriptors

InChI

1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3

InChIKey

JWOSXVMUUBWGOL-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)cc1)[N+](=O)[O-])C(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43-45 deg C   EXP
log P (octanol-water) 2.290 (none)   EST
Water Solubility 164 mg/L 25 EST
Vapor Pressure 3.15E-04 mm Hg 25 EST
Henry's Law Constant 1.01E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.56E-13 cm3/molecule-sec 25 EST

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