-
Name
DIFLUOROACETONITRILE
- EINECS
- CAS No. 359-12-6
- Article Data7
- CAS DataBase
- Density 1.163 g/cm3
- Solubility
- Melting Point 0 °C
- Formula C2HF2N
- Boiling Point 0°C
- Molecular Weight 77.0334
- Flash Point 0°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 2,2-Difluoroacetonitrile;Difluoroacetonitrile;
- PSA 23.79000
- LogP 0.77508
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. |
Related Products
- Acetonitrile
- Acetonitrile, [methyl(3-methylphenyl)amino]- (9CI)
- Acetonitrile, 2-(2-pyridinylsulfonyl)-
- Acetonitrile, 2-(4-fluorophenoxy)-
- Acetonitrile, 2,2-diethoxy-
- Acetonitrile, 2-[(4-chlorophenyl)sulfonyl]-
- Acetonitrile, 2-methoxy-
- Acetonitrile, difluoro-(6CI,7CI,8CI,9CI)
- Acetonitrile,2-(2-chlorophenoxy)-
- Acetonitrile,2-(4-methylphenoxy)-
- 35913-09-8
- 359-13-7
- 3591-42-2
- 35920-39-9
- 35920-40-2
- 3592-12-9
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- 3592-25-4
- 35923-79-6
- 35924-04-0
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