Sodium Phenylmethanesulfinate - CAS 51793-64-7

Catalog:	BB057781
Product Name:	Sodium Phenylmethanesulfinate
CAS:	51793-64-7
Synonyms:	Sodium Benzenemethanesulfinate; Sodium Benzylsulfinate

Technical Data

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Computed Properties

IUPAC Name:	sodiumphenylmethanesulfinate
Description:	Sodium Phenylmethanesulfinate is used in preparation of (E)-1-phenyl-4-sulfonylbut-1-ene compounds.
Molecular Weight:	178.18
Molecular Formula:	C7H7O2SNa
Canonical SMILES:	C1=CC=C(C=C1)CS(=O)[O-].[Na+]
InChI:	InChI=1S/C7H8O2S.Na/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9)/q+1/p-1
InChI Key:	KQJWHIKPAMMQFZ-UHFFFAOYSA-M
References:	Xiong, B., et al. Xiong, Biquan, (2019).

Publication Number	Title	Priority Date
CN-113307749-A	Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative	20210526
CN-212916476-U	Production device of high-performance sodium p-toluenesulfinate	20200617
CN-110511166-B	Synthetic method of aryl methyl alkyl sulfone	20190925
CN-110407727-A	A method of preparing alkyl trifluoromethyl selenide	20190730
RU-2694905-C1	Method of producing thiophosgen	20190314
CN-109651209-B	Method for preparing (E) -1-phenyl-4-sulfonyl butyl-1-alkene compound by activating carbon-carbon sigma-bond	20181204
US-2021347799-A1	Diverse and flexible chemical modification of nucleic acids	20180927
EP-3338756-A1	Storage-stable resin-modified glass ionomer cement	20161221
EP-3338756-B1	Storage-stable resin-modified glass ionomer cement	20161221
TW-201734018-A	Substituted pyrrolopyrimidine CDK inhibitor, pharmaceutical composition thereof and use thereof	20160325

PMID	Publication Date	Title	Journal
14781	19770401	Induction of urogenital anomalies and some tumors in the progeny of mice receiving diethylstilbestrol during pregnancy	Cancer research

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.00644492
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.00644492
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0