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Substance Name: 1,3-Dicyanobenzene
RN: 626-17-5
UNII: 7G36N0292W
InChIKey: LAQPNDIUHRHNCV-UHFFFAOYSA-N

Molecular Formula

  • C8-H4-N2

Molecular Weight

  • 128.134
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA 5 mg/m3
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Names and Synonyms

Name of Substance

  • 1,3-Dicyanobenzene

Synonyms

  • 1,3-Benzendikarbonitril
  • 1,3-Benzendikarbonitril [Czech]
  • 1,3-Benzenedicarbonitrile
  • 1,3-Benzodinitrile
  • 1,3-Dicyanobenzene
  • 3-Cyanobenzonitrile
  • AI3-25034
  • CCRIS 4132
  • Dinitrile of isophthalic acid
  • EINECS 210-933-7
  • HSDB 5724
  • IPN
  • Isoftalodinitril
  • Isoftalodinitril [Czech]
  • Isoftalonitril
  • Isoftalonitril [Czech]
  • Isophthalodinitrile
  • m-Benzenedinitrile
  • m-Dicyanobenzene
  • m-Phthalodinitrile
  • Nitril kyseliny isoftalove
  • Nitril kyseliny isoftalove [Czech]
  • NSC 87880
  • UNII-7G36N0292W

Systematic Names

  • 1,3-Benzenedicarbonitrile
  • Isophthalonitrile

Superlist Names

  • 1,3-Benzenedicarbonitrile
  • Isophthalonitrile
  • m-Phthalodinitrile

Registry Numbers

CAS Registry Number

  • 626-17-5

FDA UNII

  • 7G36N0292W

System Generated Number

  • 0000626175

Structure Descriptors

InChI

1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H

InChIKey

LAQPNDIUHRHNCV-UHFFFAOYSA-N

Smiles

c1c(cccc1C#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 500mg/kg (500mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
guinea pig LD50 unreported 370mg/kg (370mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 17, 1974.
mouse LD50 intraperitoneal 450mg/kg (450mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse LD50 oral 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.
mouse LD50 unreported 548mg/kg (548mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 17, 1974.
rabbit LD50 oral 250mg/kg (250mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0533488,
rabbit LD50 unreported 350mg/kg (350mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 17, 1974.
rat LC50 inhalation > 8970mg/m3/1H (8970mg/m3)   National Technical Information Service. Vol. OTS0533488,
rat LD50 intraperitoneal 520mg/kg (520mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.
rat LD50 oral 860mg/kg (860mg/kg)   National Technical Information Service. Vol. OTS0533488,
rat LD50 oral 860mg/kg (860mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0533488,
rat LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0533488,
rat LD50 unreported 1708mg/kg (1708mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 17, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 162 deg C   EXP
log P (octanol-water) 0.8 (none)   EXP
Water Solubility 1.05E+04 mg/L 25 EST
Vapor Pressure 5.69E-03 mm Hg 25 EST
Henry's Law Constant 5.03E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.08E-14 cm3/molecule-sec 25 EST

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