1,2-Difluoro-4-(methylsulfonyl)benzene - CAS 424792-57-4

Catalog:	BB025141
Product Name:	1,2-Difluoro-4-(methylsulfonyl)benzene
CAS:	424792-57-4
Synonyms:	1,2-difluoro-4-methylsulfonylbenzene; 1,2-difluoro-4-methylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,2-difluoro-4-methylsulfonylbenzene
Description:	1,2-Difluoro-4-(methylsulfonyl)benzene (CAS# 424792-57-4) is a useful research chemical.
Molecular Weight:	192.18
Molecular Formula:	C7H6F2O2S
Canonical SMILES:	CS(=O)(=O)C1=CC(=C(C=C1)F)F
InChI:	InChI=1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:	WMBJGJXMKCOHGG-UHFFFAOYSA-N
Boiling Point:	302.4 °C at 760 mmHg
Density:	1.376 g/cm³
MDL:	MFCD04037934
LogP:	2.44910

Publication Number	Title	Priority Date
KR-20190024104-A	Elctrolyte for secondary battery and lithium secondary battery or hybrid capacitor comprising thereof	20170831
KR-20190024105-A	Electrolyte for secondary battery and lithium secondary battery or hybrid capacitor comprising thereof	20170831
WO-2018144900-A1	Small molecule antagonists of sumo related modification of crmp2 and uses thereof	20170203
US-2020277271-A1	Small molecule antagonists of sumo related modification of crmp2 and uses thereof	20170203
WO-2017101890-A1	Spiroketal derivative, preparation method therefor and application	20151217

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Related Functional Groups

Sulfur Compounds

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[832739-73-8]
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[5310-68-9]
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[2170450-99-2]
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[21124-33-4]
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GHS Hazard Statement:	H302 (94.74%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.00565693
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.00565693
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5