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1840-42-2

Basic Information
CAS No.: 1840-42-2
Name: Fluorotrinitromethane
Article Data: 2
Molecular Structure:
Molecular Structure of 1840-42-2 (Fluorotrinitromethane)
Formula: CFN3O6
Molecular Weight: 169.026
Synonyms: Fluorotrinitromethane;Methane, fluorotrinitro-;METHANE,FLUOROTRINITRO;Fluortrinitromethan;
Density: 1.901g/cm3
Melting Point: -28.9°C
Boiling Point: 103.4°Cat760mmHg
Flash Point: 16.3°C
Safety: Poison by intraperitoneal route. Mixtures with nitrobenzene are liquid explosives. When heated to decomposition it emits very toxic fumes of F and NOx. See also FLUORIDES and NITRO COMPOUNDS.
PSA: 137.46000
LogP: 0.96690
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Chemistry

Molecular Structure of Fluorotrinitromethane (CAS NO.1840-42-2):


IUPAC: Fluoro(trinitro)methane
Molecular Formula: CFN3O6
Molecular Weight: 169.0256
Density: 1.901 g/cm3
Flash Point: 16.3oC
Boiling Point: 103.4oC at 760 mmHg
Index of Refraction: 1.471
Molar Volume: 88.8 cm3
Surface Tension: 64.8 dyne/cm
Enthalpy of Vaporization: 34.25 kJ/mol
Vapour Pressure: 32.3 mmHg at 25o
SMILES: O=[N+]([O-])C(F)([N+](=O)[O-])[N+]([O-])=O 
InChI: InChI=1/CFN3O6/c2-1(3(6)7,4(8)9)5(10)11 
InChIKey: IHOVZLJULZIGOW-UHFFFAOYAU 

Toxicity Data With Reference

1.    

ipr-mus LD50:57,300 µg/kg

    KHFZAN    Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. 10 (6)(1976),53.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. Mixtures with nitrobenzene are liquid explosives. When heated to decomposition it emits very toxic fumes of F and NOx. See also FLUORIDES and NITRO COMPOUNDS.

Specification

 Fluorotrinitromethane with cas registry number of 1840-42-2 is also known as Fluorotrinitromethane ; Methane, fluorotrinitro- ; Fluoronitroform . It would emit very toxic fumes when heated to decomposition. Fluorotrinitromethane with cas registry number of 1840-42-2 is used as a pharmaceutical intermediate .