CAS 1562-34-1 Phenyl ethenesulfonate (HCID 564920)

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Basic information

CAS: 1562-34-1
Standard SMILES: C=CS(=O)(=O)Oc1ccccc1
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
Molecular formula: C8H8O3S
Average molar mass: 184.21 g/mol
Monoisotopic mass: 184.01941529

Names & identifiers

Preferred name: Phenyl ethenesulfonate
IUPAC: phenyl ethenesulfonate
English name: Phenyl vinylsulfonate
Molecular formula: C8H8O3S
Molecular weight: 184.21

Names & synonyms

phenyl ethenesulfonatePhenyl vinylsulfonatephenyl ethene-1-sulfonateEthenesulfonic acid, phenyl esterHN14RW9PVPUNII-HN14RW9PVPDTXSID10340464RefChem:172957DTXCID30291545625-763-2CILDJVVXNMDAGY-UHFFFAOYSA-N1562-34-1

Show more names

Phenyl vinylsulfonate 95%VINYLSULFONIC ACID PHENYL ESTEREthene-1-sulfonic acid phenyl esterPhenyl ethylenesulfonate, Vinylsulfonic acid phenyl ester

Phenyl ethylenesulfonateEthenesulfonic acid phenyl esterMFCD00012206Phenyl vinylsulfonate, 95%BAA56234CS-W004160DB08433s10559

Database identifiers

CAS: 1562-34-1
PubChem CID: 564920
DTXSID: DTXSID10340464
UNII: HN14RW9PVP
EC Number: 625-763-2
Nikkaji: J265.460A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 38 · 38-42 °C(lit.)
Boiling point: 44 · 44-46 °C2 mm Hg(lit.)
Density: 1.3761 · 1.3761 (rough estimate)
refractive index: 1.5151 · 1.5151 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
color: White to Off-White
BRN: 2044718 · 2044718
Stability: Light Sensitive
InChI: 1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
SMILES: C=CS(=O)(=O)Oc1ccccc1
FDA UNII: 14 RW9PVP · HN14RW9PVP
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

F: 8
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 1759
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications · 2 items

UsesPhenyl vinylsulfonate is an ester. Palladium complex derived from a tetraphosphine-catalyzed Heck vinylation of phenyl vinylsulfonate was reported. Phenyl vinyl sulfonate reacts with various alkyl furan derivatives to yield the corresponding cycloadducts.

General DescriptionPhenyl vinylsulfonate is an ester. Palladium complex derived from a tetraphosphine-catalyzed Heck vinylation of phenyl vinylsulfonate was reported. Phenyl vinyl sulfonate reacts with various alkyl furan derivatives to yield the corresponding cycloadducts.