2,3-Dichlorobenzenesulfonyl chloride - CAS 82417-45-6

Catalog:	BB036816
Product Name:	2,3-Dichlorobenzenesulfonyl chloride
CAS:	82417-45-6
Synonyms:	2,3-dichlorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3-dichlorobenzenesulfonyl chloride
Description:	2,3-Dichlorobenzenesulfonyl chloride (CAS# 82417-45-6) is a useful research chemical.
Molecular Weight:	245.51
Molecular Formula:	C6H3Cl3O2S
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H
InChI Key:	PQODWTNHDKDHIW-UHFFFAOYSA-N
Boiling Point:	140-142 °C (2 mmHg)
Melting Point:	60-64 °C
Purity:	95 %
Density:	1.636 g/cm³
Appearance:	White crystals or crystalline powder
MDL:	MFCD00051844
LogP:	4.00170

Publication Number	Title	Priority Date
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
CN-113121467-A	Benzothiazole derivative and medical application thereof	20210420
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
WO-2021116703-A1	COMPOUNDS AND THEIR USE FOR THE TREATMENT OF Î±1-ANTITRYPSIN DEFICIENCY	20191213
WO-2020117634-A1	Ire1 small molecule inhibitors	20181203

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Related Functional Groups

Sulfur Compounds

[6633-90-5]
1,4-Butanedithiol diacetate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt
[88778-21-6]
2-(2-Methoxyethoxy)ethanethiol
[23928-04-3]
N-(2,4-Dinitrophenyl) taurine sodium salt

GHS Hazard Statement:	H228 (83.33%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P405, and P501
Signal Word:	Danger

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.891934
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.891934
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2