CAS No.359-12-6,DIFLUOROACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	359-12-6
Name:	DIFLUOROACETONITRILE
Article Data:	7

Formula:	C₂HF₂N
Molecular Weight:	77.0334
Synonyms:	2,2-Difluoroacetonitrile;Difluoroacetonitrile;
Density:	1.163 g/cm³
Melting Point:	0 °C
Boiling Point:	0°C
Flash Point:	0°C
Hazard Symbols:	Xi
PSA:	23.79000
LogP:	0.77508

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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.