Benzonitrile, 2-fluoro-3-methoxy- (9CI) supplier

Name
Benzonitrile, 2-fluoro-3-methoxy- (9CI)
EINECS
CAS No. 198203-94-0
Article Data3
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point
Formula C₈H₆FNO
Boiling Point 0.079 mmHg at 25 °C
Molecular Weight 151.14
Flash Point 91.187 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile, 2-fluoro-3-methoxy- (9CI)
PSA 33.02000
LogP 1.70598

Benzonitrile, 2-fluoro-3-methoxy- (9CI) Specification

The Benzonitrile, 2-fluoro-3-methoxy- (9CI) is an organic compound with the formula C₈H₆FNO. The IUPAC name of this chemical is 2-Fluoro-3-methoxybenzonitrile. Its CAS registry number is 198203-94-0. In addition, the molecular weight is 151.1377432. It belongs to the product category of Halide.

Physical properties about Benzonitrile, 2-fluoro-3-methoxy- (9CI) are: (1)ACD/LogP: 2.79; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 114; (8)ACD/KOC (pH 7.4): 114; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 37.798 cm³; (15)Molar Volume: 127.396 cm³; (16)Polarizability: 14.984×10^-24 cm³; (17)Surface Tension: 39.308 dyne/cm; (18)Density: 1.186 g/cm³; (19)Flash Point: 91.187 °C; (20)Enthalpy of Vaporization: 46.373 kJ/mol; (21)Boiling Point: 227.166 °C at 760 mmHg; (22)Vapour Pressure: 0.079 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1OC)C#N
(2) InChI: InChI=1/C8H6FNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
(3) InChIKey: MTZXEJOKWAFGGH-UHFFFAOYAJ

Product Name

Benzonitrile, 2-fluoro-3-methoxy- (9CI)

Benzonitrile, 2-fluoro-3-methoxy- (9CI) Specification

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