Allyl-p-toluolsulfonat

Allyl 4-methylbenzenesulfonate · Allyl p-toluenesulfonate · allyl p-toluenesulphonate · Allyl toluene-4-sulfonate · p-Toluenesulfonic acid allyl · 4-Mehtylbenzenesulfonic acid allyl · p-Toluenesulfonic acid allyl ester · prop-2-enyl 4-methylbenzenesulfonate

https://huagongshe.com/de/chemical/78587

Molekülstruktur von Allyl-p-toluolsulfonat

Identifikatoren & physikalische Daten

CAS No.	4873-09-0
Summenformel	C10H12O3S
Durchschnittliche Molmasse	212,27 g/mol
Monoisotopische Masse	212,05071524 g/mol
SMILES	C=CCOS(=O)(=O)c1ccc(C)cc1
InChIKey	ZSBJCQGJFPHZRC-UHFFFAOYSA-N
PubChem CID	78587
EC No.	225-480-0
DTXSID	DTXSID40197600
Lokaler Name	Allyl-p-toluolsulfonat

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	51,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	14
Formalladung	0
Komplexität	268
Siedepunkt	135-140 °C(Press: 0.5-1.0 Torr)
Dichte	1.180 g/mL at 20 °C (lit.)
Brechungsindex	n20/D 1.523
Lagerbedingungen	2-8°C
Aggregatzustand	liquid
BRN	2212060
InChI	1S/C10H12O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
InChIKey	ZSBJCQGJFPHZRC-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1)S(=O)(=O)OCC=C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Benzenesulfonic acid, 4-methyl-, 2-propenyl ester
Hazard Classes and Categories	Skin Irrit. 2 (100%)
F	10-21
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3