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Phenyl vinylsulfonate

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Name

Phenyl vinylsulfonate

EINECS N/A
CAS No. 1562-34-1 Density 1.261g/cm3
PSA 51.75000 LogP 2.61950
Solubility N/A Melting Point 38-42 °C(lit.)

Formula C8H8O3S Boiling Point 44-46 °C2 mm Hg(lit.)
Molecular Weight 184.216 Flash Point 72.6°C
Transport Information N/A Appearance N/A
Safety
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-37/39
RIDADR 1759
WGK Germany 3
8
HazardClass 8
PackingGroup III
Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1562-34-1 (PHENYL VINYLSULFONATE) Hazard Symbols
Synonyms

Ethylenesulfonicacid, phenyl ester;Phenyl ethenesulfonate;Phenyl ethylenesulfonate;Phenylvinylsulfonate;

Article Data 13

Phenyl vinylsulfonate Specification

The Phenyl vinylsulfonate, with the cas registry number 1562-34-1, has the systematic name and IUPAC name of phenyl ethenesulfonate. And the molecular formula of the chemical is C8H8O3S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.55; (6)ACD/BCF (pH 7.4): 20.55; (7)ACD/KOC (pH 5.5): 302.97; (8)ACD/KOC (pH 7.4): 302.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 46.33 cm3; (15)Molar Volume: 146 cm3; (16)Polarizability: 18.37×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 72.6 °C; (20)Enthalpy of Vaporization: 41.5 kJ/mol; (21)Boiling Point: 196.4 °C at 760 mmHg; (22)Vapour Pressure: 0.559 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(Oc1ccccc1)\C=C
(2)InChI: InChI=1/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
(3)InChIKey: CILDJVVXNMDAGY-UHFFFAOYAN

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