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Substance Name: Suberonitrile
RN: 629-40-3
UNII: JNT1LXA02U
InChIKey: BTNXBLUGMAMSSH-UHFFFAOYSA-N

Molecular Formula

  • C8-H12-N2

Molecular Weight

  • 136.197
 
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Names and Synonyms

Name of Substance

  • Suberonitrile

Synonyms

  • 1,6-Dicyanohexane
  • 3-02-00-01768 (Beilstein Handbook Reference)
  • AI3-33237
  • BRN 1744365
  • EC 211-089-2
  • EINECS 211-089-2
  • Korksaeuredinitril
  • Korksaeuredinitril [German]
  • NSC 51242
  • Octanedinitrile
  • Suberic acid dinitrile
  • Suberonitrile
  • UNII-JNT1LXA02U

Systematic Names

  • Octanedinitrile
  • Suberonitrile

Registry Numbers

CAS Registry Number

  • 629-40-3

FDA UNII

  • JNT1LXA02U

System Generated Number

  • 0000629403

Structure Descriptors

InChI

1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2

InChIKey

BTNXBLUGMAMSSH-UHFFFAOYSA-N

Smiles

C(CCCC#N)CCC#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.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse LD50 oral 307mg/kg (307mg/kg)   Archives of Toxicology. Vol. 57, Pg. 88, 1985.
rabbit LD50 oral 25mg/kg (25mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat LD50 oral 150mg/kg (150mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.50E+00 deg C   EXP
log P (octanol-water) 0.59 (none)   EXP
Water Solubility 1.48E+04 mg/L 25 EST
Vapor Pressure 4.43E-03 mm Hg 25 EST
Henry's Law Constant 5.23E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.54E-12 cm3/molecule-sec 25 EST

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