2-(Difluoromethoxy)benzonitrile supplier

Name
2-(Difluoromethoxy)benzonitrile
EINECS
CAS No. 56935-78-5
Article Data2
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₈H₅F₂NO
Boiling Point 242.7 °C at 760 mmHg
Molecular Weight 169.13
Flash Point 100.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms 2-(Difluoromethoxy)benzonitrile;Benzoic acid, 2-methoxy-3-(trifluoromethyl)-;
PSA 33.02000
LogP 2.15968

2-(Difluoromethoxy)benzonitrile Specification

The CAS register number of Benzonitrile,2-(difluoromethoxy)- is 56935-78-5. It also can be called as Benzoic acid, 2-methoxy-3-(trifluoromethyl)- and the systematic name about this chemical is 2-(difluoromethoxy)benzonitrile. The molecular formula about this chemical is C₈H₅F₂NO and the molecular weight is 169.13.

Physical properties about Benzonitrile,2-(difluoromethoxy)- are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 21.21; (5)ACD/BCF (pH 7.4): 21.21; (6)ACD/KOC (pH 5.5): 309.82; (7)ACD/KOC (pH 7.4): 309.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02Å²; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 37.9 cm³; (13)Molar Volume: 133.7 cm³; (14)Polarizability: 15.02x10^-24cm³; (15)Surface Tension: 36.1 dyne/cm; (16)Flash Point: 100.6 °C; (17)Enthalpy of Vaporization: 47.97 kJ/mol; (18)Boiling Point: 242.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0334 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1ccccc1C#N
(2)InChI: InChI=1/C8H5F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H
(3)InChIKey: PLTPHQGNJHSBBR-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H5F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H
(5)Std. InChIKey: PLTPHQGNJHSBBR-UHFFFAOYSA-N

Product Name

2-(Difluoromethoxy)benzonitrile

2-(Difluoromethoxy)benzonitrile Specification

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