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Acetonitrile, difluoro-(6CI,7CI,8CI,9CI)

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Name

Acetonitrile, difluoro-(6CI,7CI,8CI,9CI)

EINECS N/A
CAS No. 359-12-6 Density 1.163 g/cm3
PSA 23.79000 LogP 0.77508
Solubility N/A Melting Point 0 °C
Formula C2HF2N Boiling Point 0°C
Molecular Weight 77.0334 Flash Point 0°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 359-12-6 (DIFLUOROACETONITRILE) Hazard Symbols IrritantXi
Synonyms

2,2-Difluoroacetonitrile;Difluoroacetonitrile;

Article Data 7

Acetonitrile, difluoro-(6CI,7CI,8CI,9CI) Specification

The Acetonitrile, difluoro-(6CI,7CI,8CI,9CI), with the CAS registry number 359-12-6, is also known as Difluoroacetonitrile. This chemical's molecular formula is C2HF2N and molecular weight is 77.03. What's more, its IUPAC name is 2,2-Difluoroacetonitrile. In addition, when you are dealing with this chemical, you should be very careful. As a chemical, it may cause inflammation to the skin or other mucous membranes.

Physical properties about the Acetonitrile, difluoro-(6CI,7CI,8CI,9CI) are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.61; (8)ACD/KOC (pH 7.4): 25.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.277; (14)Molar Refractivity: 11.51 cm3; (15)Molar Volume: 66.2 cm3; (16)Polarizability: 4.56×10-24cm3; (17)Surface Tension: 18 dyne/cm; (18)Density: 1.163 g/cm3; (19)Enthalpy of Vaporization: 24.92 kJ/mol; (20)Vapour Pressure: 1900 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)C#N
(2) InChI: InChI=1/C2HF2N/c3-2(4)1-5/h2H
(3) InChIKey: DQFXLCKTFSDWHB-UHFFFAOYAY

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 2500 mg/m3/10 (2500 mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. Mar, 1942.

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