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2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride

2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride - CAS 837-95-6

Catalog:	BB037095
Product Name:	2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
CAS:	837-95-6
Synonyms:	2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
Description:	2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride (CAS# 837-95-6) is a useful research chemical.
Molecular Weight:	289.62
Molecular Formula:	C7H3ClF3NO4S
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)Cl
InChI:	InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChI Key:	KXEMVGQZZLRLBE-UHFFFAOYSA-N
Boiling Point:	519.2 °C at 760 mmHg
Density:	1.353 g/cm³
Appearance:	White powder
MDL:	MFCD00013456
LogP:	4.14510

Publication Number	Title	Priority Date
US-2020308122-A1	Novel non-systemic tgr5 agonists	20160701
CN-104678028-A	Pretreatment and detection method for biogen amine neurotransmitter and detection kit	20150212
CN-103012407-A	N-[4-(1H-pyrazolo[3,4-b]pyrazine-6-yl)-phenyl]-sulfonamides and application of N-[4-(1H-pyrazolo[3,4-b]pyrazine-6-yl)-phenyl]-sulfonamides as medicines	20110927
JP-2013063936-A	N- [4- (1H-pyrazolo [3,4-b] pyrazin-6-yl) -phenyl] -sulfonamide and its use as a medicament	20110920
JP-5827849-B2	N- [4- (1H-pyrazolo [3,4-b] pyrazin-6-yl) -phenyl] -sulfonamide and its use as a medicament	20110920

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[60-23-1]
Cysteamine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	399
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.9423409
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.9423409
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3