Trichloromethanesulfinyl Chloride - CAS 25004-95-9

Catalog:	BB057302
Product Name:	Trichloromethanesulfinyl Chloride
CAS:	25004-95-9
Synonyms:	1,1,1-Trichloromethanesulfinyl Chloride

Technical Data

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Computed Properties

IUPAC Name:	trichloromethanesulfinyl chloride
Description:	Trichloromethanesulfinyl Chloride is used as a reactant in one-pot synthesis of allenecarboxylates.
Molecular Weight:	201.89
Molecular Formula:	CCl4OS
Canonical SMILES:	C(S(=O)Cl)(Cl)(Cl)Cl
InChI:	InChI=1S/CCl4OS/c2-1(3,4)7(5)6
InChI Key:	XUDFWSSAMJVVCP-UHFFFAOYSA-N
References:	Christov, V., et al. Phosphorus, Sulfur Silicon Relat. Elem., 166, 275 (2000); Ivanova, J. Synth. Commun., 36, 2231 (2006).

Publication Number	Title	Priority Date
CN-113149873-A	Preparation method of trifluoromethyl sulfinyl chloride	20210310
KR-20210074208-A	Atomic layer etching	20191210
US-2021175088-A1	Atomic layer etching	20191210
CN-110684019-A	Preparation method of ticagrelor intermediate oxide impurity	20191029
CN-110684019-B	Preparation method of ticagrelor intermediate oxide impurity	20191029
CN-111004155-A	Preparation method of trifluoromethyl sulfuryl halide	20190911
JP-2020501373-A	Thermal atomic layer etching process	20161209
KR-20180066873-A	Thermal Atomic Layer Etching Processes	20161209
KR-20190093593-A	Thermal atomic layer etching process	20161209
TW-201835379-A	Thermal atomic layer etching process	20161209

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GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	84.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.839446
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.842397
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3