1,4-Butane Sultone - CAS 1633-83-6

Catalog:	BB011995
Product Name:	1,4-Butane Sultone
CAS:	1633-83-6
Synonyms:	oxathiane 2,2-dioxide; oxathiane 2,2-dioxide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	oxathiane 2,2-dioxide
Description:	1,4-Butane Sultone (CAS# 1633-83-6) is an alkylating agent with weak carcinogenic activity.
Molecular Weight:	136.17
Molecular Formula:	C4H8O3S
Canonical SMILES:	C1CCS(=O)(=O)OC1
InChI:	InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2
InChI Key:	MHYFEEDKONKGEB-UHFFFAOYSA-N
Boiling Point:	146 °C / 17 mmHg
Melting Point:	14 °C
Purity:	> 99.0 % (GC)
Density:	1.331 g/cm³
Appearance:	White or colorless to almost white or almost colorless powder to lump to clear liquid
Storage:	Store under inert gas
MDL:	MFCD00006584
LogP:	1.20740
Refractive Index:	1.46

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PMID	Publication Date	Title	Journal
20924787	20110201	Silica-supported sulfonic acid-functionalized ionic liquid coated with [bmim][PF6] as a scavenger for the synthesis of amides	Molecular diversity
19924837	20100121	A novel supramolecular organogel nanotubular template approach for conducting nanomaterials	The journal of physical chemistry. B
19642663	20090827	Self-assembled cylindrical and vesicular molecular templates for polyaniline nanofibers and nanotapes	The journal of physical chemistry. B
17081010	20061110	Masked imidazolyl-dipyrromethanes in the synthesis of imidazole-substituted porphyrins	The Journal of organic chemistry
15378986	20040901	Quantitative structure-activity relationship modeling of acute toxicity of quaternary alkylammonium sulfobetaines to Daphnia magna	Environmental toxicology and chemistry

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Related Functional Groups

Carbonyl Compounds

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[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

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(2R,5S,10aS,10bS)-Octahydro-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid
[773057-66-2]
(4-Aminobenzyl)phosphonic Acid Hydrochloride
[299409-58-8]
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[1173420-46-6]
(4R)-3-(1-Oxo-3-buten-1-yl)-4-(phenylmethyl)-2-oxazolidinone
(4R)-3-[(2E)-2-Methyl-1-oxo-2-buten-1-yl]-4-(phenylmethyl)-2-oxazolidinone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.01941529
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.01941529
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1