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Substance Name: 2-Methylpentanedinitrile
RN: 4553-62-2
UNII: EJX3MSL725
InChIKey: FPPLREPCQJZDAQ-UHFFFAOYSA-N

Note

  • A colorless, odorless liquid that is used as a solvent.

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.143
 
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Names and Synonyms

Name of Substance

  • 2-Methylpentanedinitrile
  • Methylglutaronitrile

Synonyms

  • 1,3-Dicyanobutane
  • 2,4-Dicyanobutane
  • 2-Methyl-1,5-valerodinitrile
  • 2-Methylglutaronitrile
  • 2-Methylpentanedinitrile
  • 4-02-00-01990 (Beilstein Handbook Reference)
  • alpha-Methylglutarsaeuredinitril
  • alpha-Methylglutarsaeuredinitril [German]
  • BRN 1741955
  • CCRIS 4673
  • Diacrylonitrile
  • EC 224-923-5
  • EINECS 224-923-5
  • Glutanonitrile, alpha-methyl-
  • HSDB 6502
  • Methyl glutaronitrile
  • UNII-EJX3MSL725

Systematic Names

  • 1,5-Valerodinitrile, 2-methyl-
  • 2-Methylglutaronitrile
  • Methyl glutaronitrile
  • Pentanedinitrile, 2-methyl-

Superlist Name

  • Glutaronitrile, 2-methyl-

Registry Numbers

CAS Registry Number

  • 4553-62-2

FDA UNII

  • EJX3MSL725

System Generated Number

  • 0004553622

Structure Descriptors

InChI

1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3

InChIKey

FPPLREPCQJZDAQ-UHFFFAOYSA-N

Smiles

C([C@@H](C#N)C)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 34mg/kg (34mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02814,
rabbit LD50 oral 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat LD50 oral 400mg/kg (400mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.50E+01 deg C   EXP
Boiling Point 263 deg C   EXP
log P (octanol-water) 0.280 (none)   EST
Water Solubility 3.48E+04 mg/L 25 EST
Vapor Pressure 0.0051 mm Hg 25 EXP
Henry's Law Constant 2.97E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-12 cm3/molecule-sec 25 EST

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