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Substance Name: 4-Nitro-m-toluidine
RN: 611-05-2
InChIKey: XPAYEWBTLKOEDA-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N2-O2

Molecular Weight

  • 152.152
 
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Names and Synonyms

Synonym

  • EINECS 210-247-8

Systematic Name

  • 4-Nitro-m-toluidine

Registry Numbers

CAS Registry Number

  • 611-05-2

System Generated Number

  • 0000611052

Structure Descriptors

InChI

1S/C7H8N2O2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,8H2,1H3

InChIKey

XPAYEWBTLKOEDA-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 1.64 (none) 20 EXP
log P (octanol-water) 2.020 (none)   EST
Water Solubility 1400 mg/L 25 EST
Vapor Pressure 9.72E-04 mm Hg 25 EST
Henry's Law Constant 8.29E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.53E-11 cm3/molecule-sec 25 EST

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