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4-fluoro-3-nitrobenzenesulfonyl chloride

4-fluoro-3-nitrobenzenesulfonyl chloride - CAS 6668-56-0

Catalog:	BB033086
Product Name:	4-fluoro-3-nitrobenzenesulfonyl chloride
CAS:	6668-56-0
Synonyms:	4-fluoro-3-nitrobenzenesulfonyl chloride; 4-fluoro-3-nitrobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-3-nitrobenzenesulfonyl chloride
Description:	4-fluoro-3-nitrobenzenesulfonyl chloride (CAS# 6668-56-0) is a used in the preparation of potent Bcl-2/Bcl-xL inhibitors with strong in vivo antitumor activity.
Molecular Weight:	239.61
Molecular Formula:	C6H3ClFNO4S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])F
InChI:	InChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI Key:	RRONENSZKCGROA-UHFFFAOYSA-N
Boiling Point:	362.9 °C at 760 mmHg
Density:	1.685 g/cm³
LogP:	3.26540

Publication Number	Title	Priority Date
CN-112661677-A	Synthesis method of antiviral drug intermediate 4-amino-3-nitrobenzenesulfonamide	20201224
CN-112375017-A	Synthesis method of important intermediate 4-fluoro-3-nitrobenzenesulfonamide of antiviral drug 0994	20201202
CN-111943889-A	Bis-aryl amine compound and preparation method and application thereof	20200724
WO-2021211922-A1	Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein	20200416
WO-2021133817-A1	1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases	20191227

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.9455346
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.9455346
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9