Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzene, 1-methyl-3-(4-nitrophenyl)-
RN: 2303-25-5
InChIKey: DLKBRTKDSDXWNA-UHFFFAOYSA-N

Molecular Formula

  • C13-H11-N-O3

Molecular Weight

  • 229.234
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1-Methyl-3-(4-nitrophenyl)benzene

Systematic Name

  • Benzene, 1-methyl-3-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 2303-25-5

System Generated Number

  • 0002303255

Structure Descriptors

InChI

1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3

InChIKey

DLKBRTKDSDXWNA-UHFFFAOYSA-N

Smiles

c1(Oc2cc(ccc2)C)ccc([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.4 (none)   EXP
Water Solubility 5 mg/L 25 EXP
Vapor Pressure 1.52E-05 mm Hg 25 EST
Henry's Law Constant 5.13E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-11 cm3/molecule-sec 25 EST

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