Chloromethyl trifluoromethyl sulfide - CAS 460-58-2

Catalog:	BB026067
Product Name:	Chloromethyl trifluoromethyl sulfide
CAS:	460-58-2
Synonyms:	chloromethylsulfanyl(trifluoro)methane

Technical Data

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Computed Properties

IUPAC Name:	chloromethylsulfanyl(trifluoro)methane
Description:	Chloromethyl trifluoromethyl sulfide (CAS# 460-58-2 ) is a useful research chemical.
Molecular Weight:	150.55
Molecular Formula:	C2H2ClF3S
Canonical SMILES:	C(SC(F)(F)F)Cl
InChI:	InChI=1S/C2H2ClF3S/c3-1-7-2(4,5)6/h1H2
InChI Key:	CQQRPMWQQUKPMR-UHFFFAOYSA-N
Boiling Point:	63.5 °C / 740 mmHg (lit.)
Density:	1.412 g/cm³
MDL:	MFCD00075301
LogP:	2.43570

Publication Number	Title	Priority Date
JP-6660518-B1	Method for producing trifluoromethylthioalkyl compound and composition of trifluoromethylthioalkyl halide compound	20180425
JP-WO2019208355-A1	Method for producing trifluoromethylthioalkyl compound and composition of trifluoromethylthioalkyl halide compound	20180425
TW-201945335-A	Method for producing trifluoromethylthiohalane compound and composition of trifluoromethylthiohalane compound	20180425
WO-2019208355-A1	Method for producing trifluoromethyl thioalkyl compound, and composition of trifluoromethyl thioalkyl halide compound	20180425
CN-111699172-A	Process for producing trifluoromethylsulfanylalkyl compound and trifluoromethylsulfanylalkyl compound composition	20180425

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Related Functional Groups

Sulfur Compounds

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[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
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[1778-09-2]
4'-(Methylthio)acetophenone

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	51.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.9517834
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.9517834
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8