CAS No.20451-53-0,PHENYL VINYL SULFOXIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	20451-53-0
Name:	PHENYL VINYL SULFOXIDE
Article Data:	94

Formula:	C₈H₈OS
Molecular Weight:	152.217
Synonyms:	Sulfoxide, phenylvinyl (6CI,7CI,8CI);(Ethenylsulfinyl)benzene;(Vinylsulfinyl)benzene;(?à)-Phenyl vinyl sulfoxide;Phenylvinyl sulfoxide;Vinyl phenyl sulfoxide;
EINECS:	243-831-6
Density:	1.18 g/cm³
Boiling Point:	317.1 °C at 760 mmHg
Flash Point:	145.6 °C
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	24/25-39-26
PSA:	36.28000
LogP:	2.80340

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Specification

The Benzene,(ethenylsulfinyl)-, with the CAS registry number 20451-53-0, is also known as Phenyl vinyl sulphoxide. It belongs to the product categories of Organic Building Blocks; Sulfoxides; Sulfur Compounds. Its EINECS registry number is 243-831-6. This chemical's molecular formula is C₈H₈OS and molecular weight is 152.21. What's more, both its IUPAC name and systematic name are the same which is called (Ethenylsulfinyl)benzene.

Physical properties about Benzene,(ethenylsulfinyl)- are: (1) ACD/LogP: 1.02; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.02; (4) ACD/LogD (pH 7.4): 1.02; (5) ACD/BCF (pH 5.5): 3.5; (6) ACD/BCF (pH 7.4): 3.5; (7) ACD/KOC (pH 5.5): 85.38; (8) ACD/KOC (pH 7.4): 85.38; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 36.28 Å²; (13) Index of Refraction: 1.61; (14) Molar Refractivity: 44.65 cm³; (15) Molar Volume: 128.7 cm³; (16) Surface Tension: 52.1 dyne/cm; (17) Density: 1.18 g/cm³; (18) Flash Point: 145.6 °C; (19) Enthalpy of Vaporization: 53.63 kJ/mol; (20) Boiling Point: 317.1 °C at 760 mmHg; (21) Vapour Pressure: 0.00073 mmHg at 25 °C.

Uses of Benzene,(ethenylsulfinyl)-: it is used to produce other chemicals. For example, it is used to produce (3-Methyl-3-nitro-butane-1-sulfinyl)-benzene. The reaction occurs with reagent KF and solvent Acetonitrile heating for 24 hours. The yield is 14%.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it may risk of serious damage to eyes. Therefore, you should wear eye/face protection and avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(\C=C)c1ccccc1
(2) InChI: InChI=1/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2
(3) InChIKey: MZMJHXFYLRTLQX-UHFFFAOYAV