1,3,2-Dioxathiolane, 2,2-dioxide

HCID 14075
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Basic information

CAS
1072-53-3
Standard SMILES
O=S1(=O)OCCO1
InChIKey
ZPFAVCIQZKRBGF-UHFFFAOYSA-N
Molecular formula
C2H4O4S
Average molar mass
124.12 g/mol
Monoisotopic mass
123.98302961

Names & identifiers

Preferred name
1,3,2-Dioxathiolane, 2,2-dioxide
IUPAC
1,3,2-dioxathiolane 2,2-dioxide
English name
Ethylenesulfate
Molecular formula
C2H4O4S
Molecular weight
124.12

Names & synonyms

1,3,2-Dioxathiolane 2,2-dioxide1,2-Ethylene sulfateGlycol sulfate1,3,2-DIOXATHIOLANE, 2,2-DIOXIDEBRN 1237731Sulfuric acid, cyclic ethylene ester3-01-00-02110 (Beilstein Handbook Reference)RefChem:412304600-809-41072-53-3EthylenesulfateEthylene sulfate
Show more names
DTDVinyl sulfateETHYLENESULPHATEEthylenedithiocarbonate1,3,2-Dioxathiolan-2,2-oxide1,3,2-Dioxathiolan-2,2-dioxide1,3,2-Dioxathiolan-2,2-oxide (DTD)1,3,2-Dioxathiolane 2,2-dioxide 98%
Ethylene glycol, cyclic sulfateethosulfateDTXSID30205981,3,2-DIOXATHIOLANE-2,2-DIOXIDEMFCD00221769DTXCID70598Ethylene glycol cyclic sulfate[1,3,2]dioxathiolane 2,2-dioxide

Database identifiers

CAS
1072-53-3
PubChem CID
14075
DTXSID
DTXSID3020598
ChEMBL
CHEMBL3186939
UNII
VQQ2YP43MT
EC Number
600-809-4
Nikkaji
J1.190.180H

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
95 · 95-97 °C (lit.)
Boiling point
231.1 · 231.1±7.0℃ (760 Torr)
Density
1.604 · 1.604±0.06 g/cm3 (20 ºC 760 Torr)
vapor pressure
0.91 · 0.91-1.7Pa at 20-25℃
refractive index
1.509 · 1.5090 (estimate)
Flash point
93.5 · 93.5±18.2℃

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.5% (2 of 80) of reports.

Danger

H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 80 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23959
Hazard Classes and CategoriesAcute Tox. 4 (92.5%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
JH4800000
hs_code
29209085
risk_code
22
Signal word
Danger

Chemistry & industry

Applications

Uses1,3,2-Dioxathiolane 2,2-Dioxide is an alkylating agent with carcinogenic activty.

Uses1,3,2-Dioxathiolane 2,2-dioxide may be employed in the preparation of imidazolidinium salts.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

15 records
New reaction record

Compound notes

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