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Product No: AA8894

1,3,2-Dioxathiolane 2,2-dioxide, 98%

Name: 1,3,2-Dioxathiolane 2,2-dioxide
Brand: Chempure

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CAS Number

1072-53-3

Molecular Weight

124.12

Formula

C2H4O4S

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IUPAC name	1,3,2-dioxathiolane 2,2-dioxide
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
molecular formula	C2H4O4S
synonyms	1,3,2-Dioxathiolane 2,2-dioxide 1072-53-3 Ethylenesulfate Ethylene sulfate 1,2-Ethylene sulfate

Computed Properties

Molecular Weight:	124.12 g/mol
XLogP3:	-0.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	123.98302978 g/mol
Monoisotopic Mass:	123.98302978 g/mol
Topological Polar Surface Area:	61 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	128
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Ethyl methanesulfonate

1,3-Propane sultone

Sulfolane

Divinyl sulfone

3-Sulfolene

Tetramethylene sulfoxide

Cyclobutanecarboxylic acid

Benzene oxide

Cyclohexyl formate

1,4-Butane sultone

Methyl trifluoromethanesulfonate

Norcamphor

Ethanesulfonic acid, methyl ester

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

2,4-Dimethylsulfolane

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (89.74%) Skin Corr. 1B (82.05%) Skin Irrit. 2 (12.82%) Skin Sens. 1 (79.49%) Eye Dam. 1 (82.05%) STOT SE 3 (15.38%) Carc. 2 (87.18%)
precautionary statement codes	P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H302 (89.74%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (82.05%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (12.82%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (79.49%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (82.05%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (15.38%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (87.18%): Suspected of causing cancer [Warning Carcinogenicity]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,3,2-dioxathiolane 2,2-dioxide
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
molecular formula	C2H4O4S
synonyms	1,3,2-Dioxathiolane 2,2-dioxide 1072-53-3 Ethylenesulfate Ethylene sulfate 1,2-Ethylene sulfate

Computed Properties

Molecular Weight:	124.12 g/mol
XLogP3:	-0.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	123.98302978 g/mol
Monoisotopic Mass:	123.98302978 g/mol
Topological Polar Surface Area:	61 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	128
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Ethyl methanesulfonate

1,3-Propane sultone

Sulfolane

Divinyl sulfone

3-Sulfolene

Tetramethylene sulfoxide

Cyclobutanecarboxylic acid

Benzene oxide

Cyclohexyl formate

1,4-Butane sultone

Methyl trifluoromethanesulfonate

Norcamphor

Ethanesulfonic acid, methyl ester

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

2,4-Dimethylsulfolane

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (89.74%) Skin Corr. 1B (82.05%) Skin Irrit. 2 (12.82%) Skin Sens. 1 (79.49%) Eye Dam. 1 (82.05%) STOT SE 3 (15.38%) Carc. 2 (87.18%)
precautionary statement codes	P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H302 (89.74%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (82.05%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (12.82%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (79.49%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (82.05%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (15.38%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (87.18%): Suspected of causing cancer [Warning Carcinogenicity]

Product No: AA8894

1,3,2-Dioxathiolane 2,2-dioxide, 98%

Product No: AA8894

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA8894

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?