CAS No.4873-09-0,ALLYL TOLUENE-4-SULFONATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4873-09-0
Name:	ALLYL TOLUENE-4-SULFONATE
Article Data:	35

Formula:	C₁₀H₁₂O₃S
Molecular Weight:	212.269
Synonyms:	Allylalcohol, p-toluenesulfonate (6CI);Benzenesulfonic acid, 4-methyl-, 2-propenylester (9CI);p-Toluenesulfonic acid, allyl ester (7CI,8CI);4-Methylbenzenesulfonic acid 2-propenyl ester;Allyl 4-methylbenzenesulfonate;Allyl p-toluenesulfonate;Allyl tosylate;
EINECS:	225-480-0
Density:	1.166 g/cm³
Boiling Point:	319.2 °C at 760 mmHg
Flash Point:	146.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	51.75000
LogP:	2.96710

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Specification

This chemical is called Allyl p-toluenesulphonate, and its systematic name is Prop-2-en-1-yl 4-methylbenzenesulfonate. With the molecular formula of C₁₀H₁₂O₃S, its molecular weight is 212.26. The CAS registry number of this chemical is 4873-09-0. Additionally, its product categories are Organic Building Blocks; Sulfur Compounds; Tosylates.

Other characteristics of the Allyl p-toluenesulphonate can be summarised as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.31; (6)ACD/BCF (pH 7.4): 24.31; (7)ACD/KOC (pH 5.5): 341.67; (8)ACD/KOC (pH 7.4): 341.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 55.59 cm³; (15)Molar Volume: 181.9 cm³; (16)Polarizability: 22.03×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 146.8 °C; (20)Enthalpy of Vaporization: 53.84 kJ/mol; (21)Boiling Point: 319.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000644 mmHg at 25°C.

Production method of this chemical: The Allyl p-toluenesulphonate could be obtained by the reactants of prop-2-en-1-ol and toluene-4-sulfonyl chloride. This reaction needs the reagent of base, and the solvent of diethyl ether.

Uses of this chemical: The Allyl p-toluenesulphonate could react with benzaldehyde, and obtain the 1-phenyl-but-3-en-1-ol. This reaction needs the reagent of CrCl₂, and the solvent of dimethylformamide. The yield is 55 %. In addition, this reaction should be taken for 2 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(OC\C=C)c1ccc(cc1)C
2.InChI: InChI=1/C10H12O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
3.InChIKey: ZSBJCQGJFPHZRC-UHFFFAOYAY