Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Bromo-4,6-dinitroaniline
RN: 1817-73-8
UNII: 105X73C593
InChIKey: KWMDHCLJYMVBNS-UHFFFAOYSA-N

Note

  • Used in synthesis of commercially significant monoazo dyes.

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H4-Br-N3-O4

Molecular Weight

  • 262.019
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Bromo-4,6-dinitroaniline

Synonyms

  • 2,4-Dinitro-6-bromanilin
  • 2,4-Dinitro-6-bromanilin [Czech]
  • 2,4-Dinitro-6-bromanilin (czech)
  • 2,4-Dinitro-6-bromoanilin
  • 2,4-Dinitro-6-bromoanilin [Czech]
  • 2,4-Dinitro-6-bromoaniline
  • 2-Bromo-4,6-dinitroaminobenzene
  • 2-Bromo-4,6-dinitroaniline
  • 4-12-00-01734 (Beilstein Handbook Reference)
  • 6-Bromo-2,4-dinitroaniline
  • Aniline, 2,4-dinitro-6-bromo-
  • Aniline, 2-bromo-4,6-dinitro-
  • Benzenamide, 2-bromo-4,6-dinitro-
  • BRN 0916722
  • Bromo DNA
  • CCRIS 820
  • EINECS 217-329-2
  • HSDB 5453
  • NCI-C60844
  • NSC 16572
  • UNII-105X73C593

Systematic Names

  • 2-Bromo-4,6-dinitroaniline
  • Aniline, 2-bromo-4,6-dinitro-
  • Benzenamine, 2-bromo-4,6-dinitro-

Superlist Name

  • Aniline, 2-bromo-4,6-dinitro-

Registry Numbers

CAS Registry Number

  • 1817-73-8

FDA UNII

  • 105X73C593

System Generated Number

  • 0001817738

Structure Descriptors

InChI

1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

InChIKey

KWMDHCLJYMVBNS-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1N)Br)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4100mg/kg (4100mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Office of Toxic Substances Report. Vol. OTS,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 153.5 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Atmospheric OH Rate Constant 1.54E-14 cm3/molecule-sec 25 EST

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