Benzene,1-ethenyl-4-isothiocyanato- supplier

Name
P-VINYLPHENYL ISOTHIOCYANATE
EINECS
CAS No. 1520-20-3
Article Data7
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₉H₇NS
Boiling Point 275 °C at 760 mmHg
Molecular Weight 161.227
Flash Point 122.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isothiocyanicacid, p-vinylphenyl ester (7CI,8CI);4-Vinylphenyl isothiocyanate;p-Isothiocyanatostyrene;p-Vinylphenyl isothiocyanate;
PSA 44.45000
LogP 3.06390

Benzene,1-ethenyl-4-isothiocyanato- Specification

The Benzene, 1-ethenyl-4-isothiocyanato-, with the CAS registry number 1520-20-3, is also known as 1-Isothiocyanato-4-vinylbenzene. This chemical's molecular formula is C₉H₇NS and molecular weight is 161.22. What's more, its IUPAC name is 1-Ethenyl-4-isothiocyanatobenzene.

Physical properties about Benzene, 1-ethenyl-4-isothiocyanato- are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 393.29; (6)ACD/BCF (pH 7.4): 393.29; (7)ACD/KOC (pH 5.5): 2505.54; (8)ACD/KOC (pH 7.4): 2505.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.45 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 51.66 cm³; (15)Molar Volume: 161.3 cm³; (16)Polarizability: 20.48×10^-24 cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 122.2 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 275 °C at 760 mmHg; (22)Vapour Pressure: 0.00877 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C=N\c1ccc(cc1)\C=C
(2) InChI: InChI=1/C9H7NS/c1-2-8-3-5-9(6-4-8)10-7-11/h2-6H,1H2
(3) InChIKey: VLYLPZIBVLBOLH-UHFFFAOYAC

Product Name

P-VINYLPHENYL ISOTHIOCYANATE

Benzene,1-ethenyl-4-isothiocyanato- Specification

Related Products

Hot Products