Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzene, 1-isothiocyanato-3-nitro-
RN: 3529-82-6
InChIKey: OEZXLKSZOAWNJU-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-N2-O2-S

Molecular Weight

  • 180.187
 
* 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

Synonyms

  • 1-Isothiocyanato-3-nitrobenzene
  • 3-12-00-01573 (Beilstein Handbook Reference)
  • 3-Nitrophenyl isothiocyanate
  • BRN 2094061
  • m-Nitrophenyl isothiocyanate

Systematic Names

  • Benzene, 1-isothiocyanato-3-nitro-
  • Isothiocyanic acid, m-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 3529-82-6

System Generated Number

  • 0003529826

Structure Descriptors

InChI

1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H

InChIKey

OEZXLKSZOAWNJU-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])N=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07672,