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Substance Name: 1-Chloro-2,4-dinitrobenzene
RN: 97-00-7
UNII: GE3IBT7BMN
InChIKey: VYZAHLCBVHPDDF-UHFFFAOYSA-N

Note

  • A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.

Molecular Formula

  • C6-H3-Cl-N2-O4

Molecular Weight

  • 202.553
 

Classification Codes

  • Contact Allergen
  • Drug / Therapeutic Agent
  • Immunomodulator
  • Indicators and Reagents
  • Irritants
  • Mutation Data
  • Noxae
  • Riot Control Agents, Chemical
  • Skin / Eye Irritant

Names and Synonyms

Name of Substance

  • 1-Chloro-2,4-dinitrobenzene
  • Dinitrochlorobenzene

MeSH Heading

  • Dinitrochlorobenzene

Synonyms

  • 1,3-Dinitro-4-chlorobenzene
  • 1-Chloor-2,4-dinitrobenzeen
  • 1-Chloor-2,4-dinitrobenzeen [Dutch]
  • 1-Chlor-2,4-dinitrobenzene
  • 1-Chlor-2,4-dinitrobenzol
  • 1-Chloro-2,4-dinitrobenzeen
  • 1-Chloro-2,4-dinitrobenzeen [Dutch]
  • 1-Chloro-2,4-dinitrobenzene
  • 1-Chloro-2,4-dinitrobenzol
  • 1-Chloro-2,4-dinitrobenzol [German]
  • 1-Cloro-2,4-dinitrobenzene
  • 1-Cloro-2,4-dinitrobenzene [Italian]
  • 2,4-Dinitro-1-chlorobenzene
  • 2,4-Dinitrochlorobenzene
  • 2,4-Dinitrophenyl chloride
  • 4-Chloro-1,3-dinitrobenzene
  • 6-Chloro-1,3-dinitrobenzene
  • AI3-01053
  • Benzene, 1-chloro-2,4-dinitro-
  • Caswell No. 389C
  • CCRIS 1799
  • CDNB
  • Chlorodinitrobenzene
  • Dinitrochlorobenzene
  • Dinitrochlorobenzene (VAN)
  • Dinitrochlorobenzol
  • DNCB
  • EC 202-551-4
  • EINECS 202-551-4
  • EPA Pesticide Chemical Code 055102
  • HSDB 5306
  • NSC 6292
  • UNII-GE3IBT7BMN

Systematic Names

  • 1-Chloro-2,4-dinitrobenzene
  • Benzene, 1-chloro-2,4-dinitro-

Superlist Names

  • 1-Chloro-2,4-dinitrobenzene
  • Benzene, 1-chloro-2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 97-00-7

FDA UNII

  • GE3IBT7BMN

System Generated Number

  • 0000097007

Structure Descriptors

InChI

1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChIKey

VYZAHLCBVHPDDF-UHFFFAOYSA-N

Smiles

c1(cc(ccc1Cl)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 130mg/kg (130mg/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 intraperitoneal 280mg/kg (280mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: PERITONITIS

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat LD50 oral 640mg/kg (640mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 53 deg C   EXP
Boiling Point 315 deg C   EXP
log P (octanol-water) 2.17 (none)   EXP
Water Solubility 8 mg/L 15 EXP
Henry's Law Constant 2.82E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.17E-14 cm3/molecule-sec 25 EST

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