2,4,5-Trichlorobenzenesulfonyl chloride - CAS 15945-07-0

Catalog:	BB011534
Product Name:	2,4,5-Trichlorobenzenesulfonyl chloride
CAS:	15945-07-0
Synonyms:	2,4,5-trichlorobenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2,4,5-trichlorobenzenesulfonyl chloride
Description:	2,4,5-Trichlorobenzenesulfonyl chloride (CAS# 15945-07-0) is a useful building block for organic synthesis.
Molecular Weight:	279.96
Molecular Formula:	C6H2Cl4O2S
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChI Key:	WNVVRCKTQSCPAC-UHFFFAOYSA-N
Boiling Point:	345 °C at 760 mmHg
Melting Point:	68-70 °C
Purity:	99 %
Density:	1.728 g/cm³
Appearance:	White or cream solid
Storage:	Store at RT.
MDL:	MFCD00007428
LogP:	4.65510

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
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
BR-112019017946-A2	curable composition, precursor to lithographic printing plate, method for producing lithographic printing plate and composite	20170228
EP-3590975-A1	Curable composition, lithographic printing plate precursor, method for preparing lithographic printing plate, and compound	20170228

PMID	Publication Date	Title	Journal
22771567	20121101	Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

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:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.850011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.852961
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8