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Cas Database |
| Name |
Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- |
EINECS | N/A |
| CAS No. | 17427-37-1 | Density | 1.05 g/cm3 |
| PSA | 53.68000 | LogP | 2.34050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H11NOS | Boiling Point | 323 °C at 760 mmHg |
| Molecular Weight | 193.27 | Flash Point | 149.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 43 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Isothiocyanicacid, p-methoxyphenethyl ester (8CI); |
Article Data | 2 |
Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- Specification
The Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- has CAS registry number 17427-37-1. This chemical's molecular formula is C10H11NOS and molecular weight is 193.27. What's more, its IUPAC name is 1-(2-isothiocyanatoethyl)-4-methoxybenzene.
Physical properties of Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 53.68 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 57.66 cm3; (9)Molar Volume: 184 cm3; (10)Polarizability: 22.86×10-24cm3; (11)Surface Tension: 34.4 dyne/cm; (12)Density: 1.05 g/cm3; (13)Flash Point: 149.2 °C; (14)Enthalpy of Vaporization: 54.25 kJ/mol; (15)Boiling Point: 323 °C at 760 mmHg; (16)Vapour Pressure: 0.000508 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/CCc1ccc(OC)cc1
(2)Std. InChI: InChI=1S/C10H11NOS/c1-12-10-4-2-9(3-5-10)6-7-11-8-13/h2-5H,6-7H2,1H3
(3)Std. InChIKey: JIZVGEJTLPEYLM-UHFFFAOYSA-N
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