Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Dinitrobenzene
RN: 99-65-0
UNII: DK8B627BU0
InChIKey: WDCYWAQPCXBPJA-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-N2-O4

Molecular Weight

  • 168.1076
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • TWA (0.15 ppm); skin; BEI

Names and Synonyms

Name of Substance

  • 1,3-Dinitrobenzene
  • 3-Dinitrobenzene

Synonyms

  • 1,3-Dinitrobenzene
  • 1,3-Dinitrobenzol
  • 2,4-Dinitrobenzene
  • AI3-02913
  • Benzene, 1,3-dinitro-
  • Benzene, m-dinitro-
  • CCRIS 1802
  • Dinitrobenzene
  • Dwunitrobenzen
  • Dwunitrobenzen [Polish]
  • EINECS 202-776-8
  • HSDB 4017
  • m-Dinitrobenzene
  • m-DNB
  • meta-Dinitrobenzene
  • NSC 7189
  • UNII-DK8B627BU0

Systematic Names

  • 1,3-Dinitrobenzene
  • Benzene, 1,3-dinitro-
  • Benzene, m-dinitro-

Superlist Names

  • Benzene, 1,3-dinitro-
  • Dinitrobenzene, all isomers
  • Dinitrobenzene, m-
  • m-Dinitrobenzene
  • m-Dinitrobenzene, liquid or solid
  • m-Dinitrobenzene, liquid or solid [UN1597] [Poison]
  • meta-Dinitrobenzene
  • UN1597

Registry Numbers

CAS Registry Number

  • 99-65-0

FDA UNII

  • DK8B627BU0

System Generated Number

  • 0000099650

Structure Descriptors

InChI

1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

InChIKey

WDCYWAQPCXBPJA-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 42mg/kg (42mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
cat LDLo oral 27mg/kg (27mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA
Lancet. Vol. 2, Pg. 582, 1901.
dog LD50 intravenous 10mg/kg (10mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. AD-A066-307,
dog LDLo oral 600mg/kg (600mg/kg)   National Technical Information Service. Vol. AD-A066-307,
human LDLo oral 28mg/kg (28mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 226, 1969.
man TDLo skin 4mg/kg/2D-I (4mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Lancet. Vol. 2, Pg. 582, 1901.
mouse LD50 oral 74700ug/kg (74.7mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 168, 1992.
mouse LDLo intraperitoneal 200mg/kg (200mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 419, 1959.
rabbit LD50 skin 1900mg/kg (1900mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 168, 1992.
rabbit LDLo oral 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD-A066-307,
rat LD50 intraperitoneal 28mg/kg (28mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 207, Pg. 446, 1949.
rat LD50 oral 59500ug/kg (59.5mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 168, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90 deg C   EXP
Boiling Point 291 deg C   EXP
log P (octanol-water) 1.49 (none)   EXP
Water Solubility 533 mg/L 25 EXP
Henry's Law Constant 4.90E-08 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.05E-14 cm3/molecule-sec 25 EST

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