Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Adiponitrile
RN: 111-69-3
UNII: SYT33B891I
InChIKey: BTGRAWJCKBQKAO-UHFFFAOYSA-N

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.143
 

Classification Codes

Classification Code

  • Reproductive Effect

Superlist Classification Codes

  • Threshold Planning Quantity (TPQ) = 1000 lb
  • TWA (2 ppm); skin

Names and Synonyms

Name of Substance

  • Adiponitrile

Synonyms

  • 1,4-Dicyanobutane
  • 4-02-00-01975 (Beilstein Handbook Reference)
  • Adipic acid dinitrile
  • Adipinsaeuredinitril
  • Adipinsaeuredinitril [German]
  • Adipodinitrile
  • Adiponitrile
  • Adipyldinitrile
  • AI3-11080
  • BRN 1740005
  • CCRIS 4570
  • EC 203-896-3
  • EINECS 203-896-3
  • Hexanedinitrile
  • Hexanedioic acid, dinitrile
  • HSDB 627
  • Nitrile adipico
  • Nitrile adipico [Italian]
  • NSC 7617
  • Tetramethylene cyanide
  • Tetramethylene dicyanide
  • UNII-SYT33B891I

Systematic Names

  • Adiponitrile
  • Hexanedinitrile

Superlist Names

  • 1,4-Dicyanobutane
  • Adiponitrile
  • Adiponitrile [UN2205] [Poison]
  • Hexanedinitrile
  • UN2205

Registry Numbers

CAS Registry Number

  • 111-69-3

FDA UNII

  • SYT33B891I

Other Registry Number

  • 55462-97-0

System Generated Number

  • 0000111693

Structure Descriptors

InChI

1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

InChIKey

BTGRAWJCKBQKAO-UHFFFAOYSA-N

Smiles

C(CCC#N)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 25mg/kg (25mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
guinea pig LD50 subcutaneous 50mg/kg (50mg/kg)   Medicina del Lavoro. Industrial Medicine. Vol. 46, Pg. 221, 1955.
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 172mg/kg (172mg/kg)   Archives of Toxicology. Vol. 57, Pg. 88, 1985.
rabbit LD50 oral 22mg/kg (22mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(12), Pg. 40, 1984.
rabbit LDLo skin 1mg/kg (1mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat LC50 inhalation 1710mg/m3/4H (1710mg/m3) SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Toxicologist. Vol. 1, Pg. 76, 1981.
rat LD50 oral 155mg/kg (155mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(12), Pg. 40, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 1 deg C   EXP
Boiling Point 295 deg C   EXP
log P (octanol-water) -0.32 (none)   EXP
Water Solubility 8.00E+04 mg/L 20 EXP
Vapor Pressure 6.79E-04 mm Hg 25 EXP
Henry's Law Constant 1.21E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.12E-13 cm3/molecule-sec 25 EST

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