Allyl phenyl sulfone - CAS 16212-05-8

Catalog:	BB011836
Product Name:	Allyl phenyl sulfone
CAS:	16212-05-8
Synonyms:	prop-2-enylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	prop-2-enylsulfonylbenzene
Description:	Allyl phenyl sulfone (CAS# 16212-05-8) is a useful research chemical compound.
Molecular Weight:	182.24
Molecular Formula:	C9H10O2S
Canonical SMILES:	C=CCS(=O)(=O)C1=CC=CC=C1
InChI:	InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:	KYPIULIVYSQNNT-UHFFFAOYSA-N
Boiling Point:	110-113 ℃ (0.5 mmHg)
Purity:	> 95.0 % (GC)
Density:	1.189 g/cm³
Appearance:	Clear colourless to faintly yellow liquid
Storage:	2-8 ℃
MDL:	MFCD00014739
LogP:	2.72710

Publication Number	Title	Priority Date
CN-113501534-A	Method for resource utilization of sodium sulfate waste salt	20210720
CN-112457724-A	Water-resistant anticorrosive paint and preparation method thereof	20201127
CN-112175528-A	High-stability instant adhesive and preparation method thereof	20201014
CN-111925308-A	Method for synthesizing N-substituted sulfone diimine by photocatalysis	20200813
CN-111924419-A	Wear-resisting belt of bucket wheel belt feeder ageing resistance	20200808

PMID	Publication Date	Title	Journal
20098605	20091124	Total synthesis and absolute configuration of the marine norditerpenoid xestenone	Marine drugs
14969516	20040225	Quantitative determination of allicin in garlic: supercritical fluid extraction and standard addition of alliin	Journal of agricultural and food chemistry
14629162	20031128	Stereospecific rearrangements during the synthesis of pyrrolidines and related heterocycles from cyclizations of amino alcohols with vinyl Sulfones	The Journal of organic chemistry
12467140	20020101	Induction of histone acetylation and inhibition of growth of mouse erythroleukemia cells by S-allylmercaptocysteine	Nutrition and cancer

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.04015073
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.04015073
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8