Butadiene sulfone - CAS 77-79-2

Catalog:	BB036038
Product Name:	Butadiene sulfone
CAS:	77-79-2
Synonyms:	2,5-dihydrothiophene 1,1-dioxide

Technical Data

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Computed Properties

IUPAC Name:	2,5-dihydrothiophene 1,1-dioxide
Description:	Butadiene sulfone (CAS# 77-79-2) is a useful research chemical compound.
Molecular Weight:	118.15
Molecular Formula:	C4H6O2S
Canonical SMILES:	C1C=CCS1(=O)=O
InChI:	InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
InChI Key:	MBDNRNMVTZADMQ-UHFFFAOYSA-N
Boiling Point:	Decomposes
Melting Point:	65-66 ℃
Flash Point:	235 °F
Purity:	> 98.0 % (GC)
Density:	1.3 g/cm³
Appearance:	White crystals
MDL:	MFCD00005481
LogP:	1.05180
Vapor Pressure:	0.34 [mmHg]

Publication Number	Title	Priority Date
CN-113480773-A	Aerogel, conductive nanofiber, preparation method and application thereof	20210628
CN-113244354-A	Vinegar curcuma zedoary decoction pieces and processing method thereof	20210513
CN-113258132-A	Solid electrolyte, preparation method thereof and solid battery	20210511
CN-113150401-A	Low-temperature-resistant and aging-resistant rubber material and preparation method thereof	20210330
CN-112864467-A	Method for preparing lithium ion battery	20210128

PMID	Publication Date	Title	Journal
21866926	20110916	DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation	Organic letters
20703377	20100614	Synthesis of oxa-bridged derivatives from Diels-Alder bis-adducts of butadiene and 1,2,3,4-tetrahalo-5,5-dimethoxycyclopentadiene	Beilstein journal of organic chemistry
19908520	20091001	The Diels-Alder cycloaddition reaction in the functionalization of carbon nanofibers	Journal of nanoscience and nanotechnology
19445211	20090201	[Purification of sulfolene and its UV-Vis and FTIR spectral analysis]	Guang pu xue yu guang pu fen xi = Guang pu
18053761	20081001	Ring inversion, structural stability and vibrational assignments of sulfolane c-C4H8SO2 and 3-sulfolene c-C4H6SO2	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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GHS Hazard Statement:	H318 (79.25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, P310, and P337+P313
Signal Word:	Danger

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.00885060
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	118.00885060
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2