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Basic Information
CAS No.: 18991-39-4
Name: 4-Methyl Thio Benzyl Cyanide
Article Data: 18
Molecular Structure:
Molecular Structure of 18991-39-4 (4-Methyl Thio Benzyl Cyanide)
Formula: C9H9 N S
Molecular Weight: 163.243
Synonyms: Thiocyanicacid, p-methylbenzyl ester (8CI); 4-Methylbenzyl thiocyanate; p-Methylbenzylthiocyanate
Density: 1.119 g/cm3
Boiling Point: 275.5 °C at 760 mmHg
Flash Point: 120.4 °C
PSA: 49.09000
LogP: 2.70928
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  • TIANFU-CHEM 4-Methyl Thio Benzyl Cyanide 18991-39-4

  • Casno:

    18991-39-4

    TIANFU-CHEM 4-Methyl Thio Benzyl Cyanide 18991-39-4

    Min.Order: 10 Kilogram

    FOB Price:  USD $ 0.0-0.0

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  • (4-methylphenyl)methyl thiocyanate

  • Casno:

    18991-39-4

    (4-methylphenyl)methyl thiocyanate

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

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  • 4-Methyl Thio Benzyl Cyanide

  • Casno:

    18991-39-4

    4-Methyl Thio Benzyl Cyanide

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Chemistry

Empirical Formula of p-Methylbenzyl thiocyanate (CAS NO.18991-39-4): C9H9NS
Molecular Weight: 163.2395
Nominal Mass: 163 Da
Average Mass: 163.2395 Da
Monoisotopic Mass: 163.045569 Da 
Index of Refraction: 1.579
Molar Refractivity: 48.53 cm3
Molar Volume: 145.8 cm3
Surface Tension: 46.2 dyne/cm
Density: 1.119 g/cm3
Flash Point: 120.4 °C
Enthalpy of Vaporization: 51.39 kJ/mol
Boiling Point: 275.5 °C at 760 mmHg
Vapour Pressure: 0.00508 mmHg at 25 °C
Structure of p-Methylbenzyl thiocyanate (CAS NO.18991-39-4):
                     
IUPAC Name: (4-Methylphenyl)methyl thiocyanate
Canonical SMILES: CC1=CC=C(C=C1)CSC#N
InChI: InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6H2,1H3
InChIKey: DFKZGPBKYUQGAY-UHFFFAOYSA-N

Specification

 p-Methylbenzyl thiocyanate , its cas register number is 18991-39-4. It also can be called 1-Methyl-4-(thiocyanatomethyl)benzene ; and Thiocyanic acid, p-methylbenzyl ester .