Allyl p-toluenesulfonate - CAS 4873-09-0

Catalog:	BB026583
Product Name:	Allyl p-toluenesulfonate
CAS:	4873-09-0
Synonyms:	prop-2-enyl 4-methylbenzenesulfonate

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Computed Properties

IUPAC Name:	prop-2-enyl 4-methylbenzenesulfonate
Description:	Allyl p-toluenesulfonate (CAS# 4873-09-0) is a useful research chemical.
Molecular Weight:	212.27
Molecular Formula:	C10H12O3S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OCC=C
InChI:	InChI=1S/C10H12O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
InChI Key:	ZSBJCQGJFPHZRC-UHFFFAOYSA-N
Boiling Point:	319.2 °C at 760 mmHg
Purity:	95 %
Density:	1.166 g/cm³
LogP:	2.96710

Publication Number	Title	Priority Date
CN-112125787-A	Process for synthesizing diallyl phenol ether compound by azeotropic dehydration	20201015
CN-111793191-A	Water-based non-ionic polyurea curing agent and preparation method and application thereof	20200706
CN-111253329-A	Preparation process of triallyl isocyanurate	20200414
WO-2021120127-A1	Method for preparing cholesterol, derivative and analogue thereof	20191219
WO-2021121239-A1	Method for preparing cholesterol, derivative thereof, and analog thereof	20191219

PMID	Publication Date	Title	Journal
12868933	20030725	Palladium-catalyzed benzannulation from alkynes and allylic compounds	The Journal of organic chemistry

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

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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:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.05071541
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.05071541
Rotatable Bond Count:	4
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2