Phenyl vinyl sulfone

HCID 79664CAS 5535-48-8
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CS(=O)(=O)c1ccccc1
InChIKey
UJTPZISIAWDGFF-UHFFFAOYSA-N
Molecular formula
C8H8O2S
Average molar mass
168.21 g/mol
Monoisotopic mass
168.0245005

Overview

RN and structure in first source

Names & identifiers

Preferred name
Phenyl vinyl sulfone
IUPAC
ethenylsulfonylbenzene
English name
Phenyl vinyl sulfone
Molecular formula
C8H8O2S
Molecular weight
168.21

Names & synonyms

Phenyl vinyl sulfone5535-48-8(ethenylsulfonyl)benzeneVinylsulfonylbenzeneBenzene, (ethenylsulfonyl)-URI-744NSC-3539431973457VYDTXSID50203903PVS cpdRefChem:861643DTXCID40126394
Show more names
URI 744PhenyVinySulfonePHENYLVINYLSULTONEPhenyl vinyl sufoneVINYL PHENYL SULFONEPhenylVinylSulfone>Phenylvinylsulfone,99+%
226-890-2(Vinylsulfonyl)benzene(ethenesulfonyl)benzeneethenylsulfonylbenzeneSulfone, phenyl vinylPhenyl vinyl sulphoneMFCD00007554phenyl vinylsulfone

Database identifiers

CAS
5535-48-8
PubChem CID
79664
DTXSID
DTXSID50203903
ChEMBL
CHEMBL165058
UNII
31973457VY
EC Number
226-890-2
Nikkaji
J102.264D

Properties

Computed structural properties

XLogP
1
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
67 · 67-69 °C (lit.)
Boiling point
267.16 °C · 267.16°C (rough estimate)
Density
1.266 · 1.2660 (rough estimate)
refractive index
1.509 · 1.5090 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
It is soluble in most common organic solvents.

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Danger

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, (ethenylsulfonyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
hs_code
29309090
risk_code
36/37/38-43-41-37/38-22
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Applications · 3 items

UsesPhenyl Vinyl Sulfone is a synthetic inhibitor of cysteine protease and has antihelminthic and antiprotozoal properties. Phenyl Vinyl Sulfone is also an inhibitor of transpeptidase SrtA required for cell wall protein anchoring and virulence in Staphylococcus aureus.

UsesAs common reagent, Phenyl vinyl sulfone is used in a variety of cycloaddition reactions to form cyclopropanes,1 cyclohexenes,2,3 and cyclooctadienes.

General DescriptionPhenyl vinyl sulfone, a synthetic inhibitor of cysteine protease, exhibits antihelminthic and antiprotozoal properties.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

57 records
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Linked notes

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