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2,3-Difluoro-5-methylbenzonitrile

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Name

2,3-Difluoro-5-methylbenzonitrile

EINECS N/A
CAS No. 1003712-18-2 Density 1.217 g/cm3
PSA 23.79000 LogP 2.14488
Solubility N/A Melting Point N/A
Formula C8H5F2N Boiling Point 214.779 °C at 760 mmHg
Molecular Weight 153.13 Flash Point 83.696 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1003712-18-2 (2,3-Difluoro-5-Methylbenzonitrile) Hazard Symbols N/A
Synonyms

Sodium perborate7632-04-4;2,3-Difluoro-5-Methylbenzonitrile;Benzonitrile, 2,3-difluoro-5-methyl-

 

2,3-Difluoro-5-methylbenzonitrile Specification

The 2,3-Difluoro-5-methylbenzonitrile, with the CAS registry number 1003712-18-2, is also known as Benzonitrile, 2,3-difluoro-5-methyl-. It belongs to the product category of Fluorin-contained Benzonitrile series. This chemical's molecular formula is C8H5F2N and molecular weight is 153.13. What's more, its systematic name is 2,3-Difluoro-5-methylbenzonitrile.

Physical properties of 2,3-Difluoro-5-methylbenzonitrile are: (1)ACD/LogP: 1.688; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.30; (6)ACD/BCF (pH 7.4): 11.30; (7)ACD/KOC (pH 5.5): 197.48; (8)ACD/KOC (pH 7.4): 197.48; (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: 1.486; (14)Molar Refractivity: 36.168 cm3; (15)Molar Volume: 125.849 cm3; (16)Polarizability: 14.338×10-24cm3; (17)Surface Tension: 34.95 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 83.696 °C; (20)Enthalpy of Vaporization: 45.111 kJ/mol; (21)Boiling Point: 214.779 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C#N)cc(C)cc1F
(2)Std. InChI: InChI=1S/C8H5F2N/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3
(3)Std. InChIKey: YHCHCXBCEMMYSF-UHFFFAOYSA-N

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