Chloromethyl 4-chlorophenyl sulfide - CAS 7205-90-5

Catalog:	BB034525
Product Name:	Chloromethyl 4-chlorophenyl sulfide
CAS:	7205-90-5
Synonyms:	1-chloro-4-(chloromethylsulfanyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chloro-4-(chloromethylsulfanyl)benzene
Description:	Chloromethyl 4-chlorophenyl sulfide (CAS# 7205-90-5 ) is a useful research chemical.
Molecular Weight:	193.09
Molecular Formula:	C7H6Cl2S
Canonical SMILES:	C1=CC(=CC=C1SCCl)Cl
InChI:	InChI=1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
InChI Key:	XPJUCMIJGVAEGF-UHFFFAOYSA-N
Boiling Point:	128-129 °C
Density:	1.348 g/cm³
LogP:	3.62840

Publication Number	Title	Priority Date
US-2020409221-A1	Liquid crystal sensor	20151118
US-2016018371-A1	Detection of gas-phase analytes using liquid crystals	20130313
US-2017212088-A1	Detection of gas-phase analytes using liquid crystals	20130313
US-9575037-B2	Detection of gas-phase analytes using liquid crystals	20130313
WO-2014165196-A1	Detection of gas-phase analytes using liquid crystals	20130313

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[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
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

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:	89.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9567268
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.9567268
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7