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Phenyl vinyl sulfone

Phenyl vinyl sulfone structure

CAS No:
5535-48-8
Formula:
C8H8O2S
Chemical Name:
Phenyl vinyl sulfone
Synonyms:
Benzene,(ethenylsulfonyl)-;Sulfone,phenyl vinyl;(Ethenylsulfonyl)benzene;Phenyl vinyl sulfone;URI 744;NSC 35394;Ethenyl phenyl sulfone;Vinylsulfonylbenzene;(Ethenesulfonyl)benzene
Categories:
Pharmaceutical Intermediates > Antimigraine Agents

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Description

off-white or tan powder

Phenyl vinyl sulfone Basic Attributes

Molecular Weight：

168.21

Exact Mass：

168.21

EC Number：

226-890-2

UNII：

31973457VY

NSC Number：

35394

DSSTox ID：

DTXSID50203903

HScode：

2904100000

Characteristics

PSA：

42.5

XLogP3：

Density：

1.2±0.1 g/cm3

Melting Point：

68 °C

Boiling Point：

314.4°C at 760 mmHg

Flash Point：

178.6±13.1 °C

Refractive Index：

1.537

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H317-H318-H335

GHS Classification：

|Danger|H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

phenyl vinyl sulfone

Phenyl vinyl sulfone Use and Manufacturing

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

Computed Properties

Molecular Weight:168.21
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:42.5
Heavy Atom Count:11
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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