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4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride

4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride - CAS 32333-53-2

Catalog:	BB021261
Product Name:	4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride
CAS:	32333-53-2
Synonyms:	4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride; 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
Description:	4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride (CAS# 32333-53-2) is a useful research chemical.
Molecular Weight:	279.06
Molecular Formula:	C7H3Cl2F3O2S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
InChI:	InChI=1S/C7H3Cl2F3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H
InChI Key:	SSULGNXFUGLULI-UHFFFAOYSA-N
Boiling Point:	253 °C at 760 mmHg
Density:	1.083 g/cm³
LogP:	4.36710

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
CN-110204465-B	Method for synthesizing homoallylamine compound by photocatalysis	20190613
WO-2020243457-A1	Compounds and therapeutic uses thereof	20190529
CN-109608369-B	Sulfonyl ester group anthraquinone derivative and preparation method and application thereof	20181224
WO-2020117972-A1	Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer	20181204

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GHS Hazard Statement:	H290 (16.67%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (16.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, 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:	277.9182904
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.9182904
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2