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143782-23-4

Basic Information
CAS No.: 143782-23-4
Name: Benzonitrile,4-isothiocyanato-2-(trifluoromethyl)-
Article Data: 47
Cas Database
Molecular Structure:
Molecular Structure of 143782-23-4 (Benzonitrile,4-isothiocyanato-2-(trifluoromethyl)-)
Formula: C9H3F3N2S
Molecular Weight: 228.197
Synonyms: 4-Cyano-3-trifluoromethylphenylisothiocyanate;4-Isothiocyanato-2-trifluoromethylbenzonitrile;
EINECS: 1592732-453-0
Density: 1.317 g/cm3
Melting Point: 39.0 to 43.0 °C
Boiling Point: 330.594 °C at 760 mmHg
Flash Point: 153.738 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 68.24000
LogP: 3.31138
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  • Featured products 3-Fluoro-4-Methylphenylisothiocyanate

  • Casno:

    143782-23-4

    Featured products 3-Fluoro-4-Methylphenylisothiocyanate

    Min.Order: 100 Gram

    FOB Price:  USD $ 0.0-0.0/Gram

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  • 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile CAS NO.143782-23-4

  • Casno:

    143782-23-4

    4-Isothiocyanato-2-(trifluoromethyl)benzonitrile CAS NO.143782-23-4

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0/Kilogram

    ProName:4-Isothiocyanato-2-(trifluoromethyl)be... CasNo:143782-23-4 Molecular Formula:C9H3F3N2S Appearance:White to yellow powder Application:Enzalutamide Intermediate DeliveryTime:2 weeks PackAge:N.W 25kg fiber drum ProductionCapacity:500 K

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  • 2-fluoro-4-isothiocyanato-1-methylbenzene

  • Casno:

    143782-23-4

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    Min.Order: 1 Kilogram

    FOB Price:  USD $ 100.0-100.0/Kilogram

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  • 3-Fluoro-4-methylphenylisothiocyanate/High quality/Best price

  • Casno:

    143782-23-4

    3-Fluoro-4-methylphenylisothiocyanate/High quality/Best price

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0/Gram

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Specification

The 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile, with the CAS registry number 143782-23-4, is also known as 4-Cyano-3-trifluoromethylphenylisothiocyanate. This chemical's molecular formula is C9H3F3N2S and molecular weight is 228.19. What's more, its systematic name is 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile.

Physical properties of 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile are: (1)ACD/LogP: 3.443; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.57; (6)ACD/BCF (pH 7.4): 243.57; (7)ACD/KOC (pH 5.5): 1778.09; (8)ACD/KOC (pH 7.4): 1778.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.24 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 53.911 cm3; (15)Molar Volume: 173.245 cm3; (16)Polarizability: 21.372×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 153.738 °C; (20)Enthalpy of Vaporization: 57.319 kJ/mol; (21)Boiling Point: 330.594 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(\N=C=S)ccc1C#N
(2)Std. InChI: InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
(3)Std. InChIKey: TYXKOMAQTWRDCR-UHFFFAOYSA-N