- 4-Methylbenzyl acetate
- 4-Methylbenzyl alcohol
- 4-Methylbenzyl bromide
- 4-Methylbenzyl chloride
- 4-Methylbenzyl cyanide
- 4-Methylbenzyl isocyanate
- 4-Methylbenzyl thiocyanate
- 4-Methylbenzylamine
- 4-Methylbenzylsulfonyl chloride
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Cas Database |
| Name |
4-Methylbenzyl thiocyanate |
EINECS | N/A |
| CAS No. | 18991-39-4 | Density | 1.119 g/cm3 |
| PSA | 49.09000 | LogP | 2.70928 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9 N S | Boiling Point | 275.5 °C at 760 mmHg |
| Molecular Weight | 163.243 | Flash Point | 120.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Thiocyanicacid, p-methylbenzyl ester (8CI); 4-Methylbenzyl thiocyanate; p-Methylbenzylthiocyanate |
Article Data | 18 |
4-Methylbenzyl thiocyanate Chemical Properties
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):
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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
4-Methylbenzyl thiocyanate 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 .
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