Ethylenesulfate - CAS 1072-53-3

Catalog:	BB002009
Product Name:	Ethylenesulfate
CAS:	1072-53-3
Synonyms:	1,3,2-dioxathiolane 2,2-dioxide; 1,3,2-dioxathiolane 2,2-dioxide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3,2-dioxathiolane 2,2-dioxide
Description:	Ethylenesulfate (CAS# 1072-53-3) is an alkylating agent with carcinogenic activty.
Molecular Weight:	124.12
Molecular Formula:	C2H4O4S
Canonical SMILES:	C1COS(=O)(=O)O1
InChI:	InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
InChI Key:	ZPFAVCIQZKRBGF-UHFFFAOYSA-N
Boiling Point:	231.1 °C at 760 mmHg
Melting Point:	95-97 °C
Purity:	98 %
Density:	1.604 g/cm³
Solubility:	Soluble in Chloroform, Methanol
Appearance:	White to beige solid
Storage:	Store at 2-8 °C
MDL:	MFCD00221769
LogP:	0.35880

Publication Number	Title	Priority Date
CN-113422105-A	Lithium ion battery and electronic device	20210629
CN-113471539-A	Electrolyte, preparation method thereof and lithium ion battery	20210629
CN-113488697-A	Sodium ion battery electrolyte additive, electrolyte and sodium ion battery	20210629
CN-113422111-A	Electrolyte and lithium ion battery containing same	20210623
CN-113437364-A	Non-aqueous electrolyte and secondary battery thereof	20210617

PMID	Publication Date	Title	Journal
22809472	20121101	Toxicological effects of cationic nanobubbles on the liver and kidneys: biomarkers for predicting the risk	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
18007383	20050930	Synthesis of hydroxy sulfonate surfactants	Molecules (Basel, Switzerland)
11716732	20011128	Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: application of Hammond and anti-Hammond postulates to understand hydrolysis in solution	Journal of the American Chemical Society

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Related Functional Groups

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GHS Hazard Statement:	H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P261, P264, P270, P271, P272, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.98302978
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	123.98302978
Rotatable Bond Count:	0
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5