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Basic Information
CAS No.: 376-89-6
Name: perfluoroglutaronitrile
Molecular Structure:
Molecular Structure of 376-89-6 (perfluoroglutaronitrile)
Formula: C5F6 N2
Molecular Weight: 202.059
Synonyms: Glutaronitrile,hexafluoro- (7CI,8CI); Pentanedinitrile, hexafluoro- (9CI); Perfluoroglutaricacid dinitrile; Perfluoroglutaric acid dinitriles; Perfluoroglutaronitrile
Density: 1.546g/cm3
Boiling Point: 110.5°Cat760mmHg
Flash Point: 20.6°C
Safety: Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−, CN−, and NOx. See also NITRILES.
PSA: 47.58000
LogP: 1.93946
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Chemistry

Product Name: Hexafluoroglutaronitrile (CAS NO.376-89-6)


Molecular Formula: C5F6N2
Molecular Weight: 202.0573192g/mol
Mol File: 376-89-6.mol
EINECS: 206-818-6
Boiling point: 110.5 °C at 760 mmHg
Flash Point: 20.6 °C
Density: 1.546 g/cm3
Surface Tension: 24.2 dyne/cm
Enthalpy of Vaporization: 34.91 kJ/mol
Vapour Pressure: 23.7 mmHg at 25°C
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 8
Structure Descriptors of Hexafluoroglutaronitrile (CAS NO.376-89-6):
  IUPAC Name: 2,2,3,3,4,4-hexafluoropentanedinitrile
  Canonical SMILES: C(#N)C(C(C(C#N)(F)F)(F)F)(F)F
  InChI: InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13 
  InChIKey: YDLOFKOZJGMQBZ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 58mg/m3/4H (58mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 11, Pg. 79, 1969.
mouse LD50 oral 977mg/kg (977mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 11, Pg. 79, 1969.
rat LC50 inhalation 67mg/m3/4H (67mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 11, Pg. 79, 1969.
rat LD50 oral 2600mg/kg (2600mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 11, Pg. 79, 1969.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−, CN−, and NOx. See also NITRILES.

Specification

 Hexafluoroglutaronitrile , its CAS NO. is 376-89-6, the synonyms are 4-02-00-01943 (Beilstein Handbook Reference) ; BRN 1789369 ; EINECS 206-818-6 ; Glutaronitrile, hexafluoro- ; Perfluoroglutaric acid dinitrile ; Perfluoroglutaronitrile ; Glutaronitrile, perfluoro- ; Pentanedinitrile, hexafluoro- (9CI) .