Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- supplier

Name
1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE
EINECS
CAS No. 17427-37-1
Article Data2
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NOS
Boiling Point 323 °C at 760 mmHg
Molecular Weight 193.27
Flash Point 149.2 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms Isothiocyanicacid, p-methoxyphenethyl ester (8CI);
PSA 53.68000
LogP 2.34050

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

Product Name

1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE

Benzene,1-(2-isothiocyanatoethyl)-4-methoxy- Specification

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