CAS 1184-84-5 Vinylsulfonic acid (HCID 62474)

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Basic information

CAS: 1184-84-5
Standard SMILES: C=CS(=O)(=O)O
InChIKey: NLVXSWCKKBEXTG-UHFFFAOYSA-N
Molecular formula: C2H4O3S
Average molar mass: 108.12 g/mol
Monoisotopic mass: 107.98811499

Overview

VINYLSULFONIC ACID is an organosulfonic acid.

Names & identifiers

Preferred name: Vinylsulfonic acid
IUPAC: ethenesulfonic acid
English name: Ethylenesulfonic acid
Molecular formula: C2H4O3S
Molecular weight: 108.12

Names & synonyms

VINYLSULFONIC ACIDethenesulfonic acidEthylenesulfonic acid1184-84-5VSA-HGJ6489R1WEVSA-SDTXSID2047018RefChem:194347DTXCID0027018214-676-1VINYLSULPHONIC ACID

Show more names

ethenesulfonicaciVINYLSULPHONICACID1-Ethenesulfonic acid

EINECS 214-676-1MFCD09743544Sodium ethenesulfonate(25%Nasalt)AKOS006230508DB04359BS-44145Ethylenesulphonic acidV0134

Database identifiers

CAS: 1184-84-5
PubChem CID: 62474
DTXSID: DTXSID2047018
ChEMBL: CHEMBL1236690
ChEBI: CHEBI:231243
UNII: GJ6489R1WE
EC Number: 214-676-1
Nikkaji: J150.188G

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Collision Cross Section113.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0027513]

Physicochemical properties

Boiling point: 125 °C · 125°C
Density: 1.392 · 1.392
refractive index: 1.4496 · 1.4496
Flash point: 159 °C · 159°C(lit.)
storage temp.: 2 · 2-8°C, stored under nitrogen, away from moisture
pka: -2.71 · -2.71±0.15(Predicted)
form: clear liquid
color: Light yellow to Brown
InChI: InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.