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2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride - CAS 175205-54-6

Name: 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride
Brand: BOC Sciences
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Catalog:	BB013098
Product Name:	2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride
CAS:	175205-54-6
Synonyms:	2-chloro-4-(trifluoromethyl)benzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-(trifluoromethyl)benzenesulfonyl chloride
Description:	2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride (CAS# 175205-54-6) is a useful research chemical.
Molecular Weight:	279.06
Molecular Formula:	C7H3Cl2F3O2S
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C7H3Cl2F3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
InChI Key:	NJXDBSSSDPOAFI-UHFFFAOYSA-N
Boiling Point:	80-71 °C (1 torr)
Density:	2.225 g/cm³
Appearance:	Solid
MDL:	MFCD00052912
LogP:	4.36710

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Related Functional Groups

Sulfur Compounds

[123-43-3]C2H4O5S
Sulfoacetic acid
[71996-48-0]C14H14O2S
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[832739-83-0]C13H12ClNO3S
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]C9H10OS
4'-(Methylthio)acetophenone
[15863-41-9]C8H7NS2
4-(Methylthio)phenyl isothiocyanate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021158516-A1	IRE1Î± MODULATORS AND USES THEREOF	20200203
WO-2021102314-A1	Trpv4 receptor ligands	20191121
CN-109608369-B	Sulfonyl ester group anthraquinone derivative and preparation method and application thereof	20181224
US-2020317660-A1	Quinazolinone Compound and Application Thereof	20171113
CN-104678028-B	The pre-treatment of biological original amine neurotransmitters and detection method and detection kit	20150212

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5