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334-44-1

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Basic Information
CAS No.: 334-44-1
Name: 7-fluoroheptanenitrile
Article Data: 4
Molecular Structure:
Molecular Structure of 334-44-1 (7-fluoroheptanenitrile)
Formula: C7H12FN
Molecular Weight: 129.20
Density: 0.903g/cm3
Boiling Point: 205.6°C at 760 mmHg
Flash Point: 78.2°C
Safety: Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−, NOx and CN−. See also NITRILES.
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Chemistry

The Molecular Structure of 7-Fluoroheptanonitrile (CAS NO.334-44-1):

Molecular Formula: C7H12FN
Molecular Weight: 129.175283 g/mol
Index of Refraction: 1.398
Molar Refractivity: 34.55 cm3
Molar Volume: 142.9 cm3
Surface Tension: 27.8 dyne/cm
Density: 0.903 g/cm3
Flash Point: 78.2 °C
Enthalpy of Vaporization: 44.19 kJ/mol
Boiling Point: 205.6 °C at 760 mmHg
Vapour Pressure: 0.248 mmHg at 25°C 
InChI
InChI=1/C7H12FN/c8-6-4-2-1-3-5-7-9/h1-6H2
Smiles
C(CCC#N)CCCF
Classification Code: Drug / Therapeutic Agent
The IUPAC of 7-Fluoroheptanonitrile (CAS NO.334-44-1) is 7-fluoroheptanenitrile .

Toxicity Data With Reference

1.    

ipr-mus LD50:2700 µg/kg

     JACSAT    Journal of the American Chemical Society. 78 (1956),3484.
2.    

scu-mus LD50:2700 µg/kg CLDND*

Consensus Reports

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

Safety Profile

Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−, NOx and CN−. See also NITRILES.

Specification

 7-Fluoroheptanonitrile (CAS NO.334-44-1) is also called as 4-02-00-00964 (Beilstein Handbook Reference) ; BRN 1747616 ; Heptanonitrile, 7-fluoro- .