3,4-Dichlorobenzylsulfonyl chloride - CAS 85952-30-3

Catalog:	BB037780
Product Name:	3,4-Dichlorobenzylsulfonyl chloride
CAS:	85952-30-3
Synonyms:	(3,4-dichlorophenyl)methanesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3,4-dichlorophenyl)methanesulfonyl chloride
Description:	3,4-Dichlorobenzylsulfonyl chloride (CAS# 85952-30-3) is a useful research chemical.
Molecular Weight:	259.54
Molecular Formula:	C7H5Cl3O2S
Canonical SMILES:	C1=CC(=C(C=C1CS(=O)(=O)Cl)Cl)Cl
InChI:	InChI=1S/C7H5Cl3O2S/c8-6-2-1-5(3-7(6)9)4-13(10,11)12/h1-3H,4H2
InChI Key:	DRYGYFAFCNDLEJ-UHFFFAOYSA-N
Boiling Point:	353.1 °C at 760 mmHg
Density:	1.601 g/cm³
MDL:	MFCD01631929
LogP:	4.14280

Publication Number	Title	Priority Date
US-10292972-B1	Pharmaceutical composition for treating cancer and a method thereof	20171026
US-2019125732-A1	Pharmaceutical composition for treating cancer and a method thereof	20171026
US-2020216389-A1	Novel sulfonamide carboxamide compounds	20170815
WO-2019034697-A1	NOVEL CARBOXAMIDE SULFONAMIDE COMPOUNDS	20170815
EP-3568390-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[874-87-3]
4-(Methylthio)benzyl chloride
[52147-97-4]
trans-β-Styrenesulfonyl chloride

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

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.907584
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.907584
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6