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4-(Trifluoromethyl)benzylsulfonyl chloride

4-(Trifluoromethyl)benzylsulfonyl chloride - CAS 163295-75-8

Name: 4-(Trifluoromethyl)benzylsulfonyl chloride
Brand: BOC Sciences
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Catalog:	BB011986
Product Name:	4-(Trifluoromethyl)benzylsulfonyl chloride
CAS:	163295-75-8
Synonyms:	[4-(trifluoromethyl)phenyl]methanesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
Description:	4-(Trifluoromethyl)benzylsulfonyl chloride (CAS# 163295-75-8) is a useful research chemical.
Molecular Weight:	258.65
Molecular Formula:	C8H6ClF3O2S
Canonical SMILES:	C1=CC(=CC=C1CS(=O)(=O)Cl)C(F)(F)F
InChI:	InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChI Key:	KKBNUPMMAGEQAT-UHFFFAOYSA-N
Boiling Point:	293.5 °C at 760 mmHg
Melting Point:	103-105 °C
Purity:	95 %
Density:	1.506 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD01631932
LogP:	3.85480

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Related Functional Groups

Sulfur Compounds

[123-43-3]C2H4O5S
Sulfoacetic acid
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[1778-09-2]C9H10OS
4'-(Methylthio)acetophenone
[156-57-0]C2H8ClNS
Cysteamine hydrochloride
[16017-53-1]C10H13ClN2O2S
1-(4-Chloro-benzenesulfonyl)-piperazine
[828291-81-2]C17H16BrN3OS
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

GHS Hazard Statement:	H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

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Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.9729128
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.9729128
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8