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796600-15-2

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Basic Information
CAS No.: 796600-15-2
Name: 2-chloro-4-fluoro-3-methylbenzonitrile
Article Data: 7
Molecular Structure:
Molecular Structure of 796600-15-2 (2-chloro-4-fluoro-3-methylbenzonitrile)
Formula: C8H5ClFN
Molecular Weight: 169.586
Synonyms: 2-Chloro-4-fluoro-3-methylbenzonitrile;
Density: 1.283 g/cm3
Boiling Point: 260.751 °C at 760 mmHg
Flash Point: 111.498 °C
PSA: 23.79000
LogP: 2.65918
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    2-chloro-4-fluoro-3-methylbenzonitrile

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  • 2-chloro-4-fluoro-3-methylbenzonitrile

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    2-chloro-4-fluoro-3-methylbenzonitrile

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Henan Kanbei Chemical Co., Ltd. is a modern high-tech chemical enterprise integrating R&D, production and sales. The company has strong technical strength, advanced equipment, stri

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  • 2-chloro-4-fluoro-3-methylbenzonitrile

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    796600-15-2

    2-chloro-4-fluoro-3-methylbenzonitrile

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    796600-15-2 Application:intermediate

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  • 2-chloro-4-fluoro-3-methylbenzonitrile

  • Casno:

    796600-15-2

    2-chloro-4-fluoro-3-methylbenzonitrile

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    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

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Specification

The Benzonitrile, 2-chloro-4-fluoro-3-methyl- is an organic compound with the formula C8H5ClFN. The IUPAC name of this chemical is 2-Chloro-4-fluoro-3-methylbenzonitrile. Its CAS registry number is 874821-50-8. In addition, the molecular weight is 169.585.

Physical properties about Benzonitrile, 2-chloro-4-fluoro-3-methyl- are: (1)ACD/LogP: 2.62; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.618; (4)ACD/LogD (pH 7.4): 2.618; (5)ACD/BCF (pH 5.5): 57.462; (6)ACD/BCF (pH 7.4): 57.462; (7)ACD/KOC (pH 5.5): 632.382; (8)ACD/KOC (pH 7.4): 632.382; (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: 1.531; (14)Molar Refractivity: 40.883 cm3; (15)Molar Volume: 132.199 cm3; (16)Polarizability: 16.207×10-24 cm3; (17)Surface Tension: 41.621 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 111.498 °C; (20)Enthalpy of Vaporization: 49.846 kJ/mol; (21)Boiling Point: 260.751 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(ccc(c1Cl)C#N)F
(2) InChI: InChI=1/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3
(3) InChIKey: IOKBJSAKTZEMBR-UHFFFAOYAD