1,3-Bis(tosyloxy)propane supplier

Name
1,3-PROPANEDIOL DI-P-TOLUENESULFONATE
EINECS
CAS No. 5469-66-9
Article Data29
CAS DataBase
Density 1.3g/cm³
Solubility
Melting Point 90-92 °C(lit.)
Formula C₁₇H₂₀O₆S₂
Boiling Point 563.1 °C at 760 mmHg
Molecular Weight 384.474
Flash Point 294.4 °C
Transport Information
Appearance white to off-white powder
Safety 36/37/39-26
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,3-Propanediol,bis(4-methylbenzenesulfonate) (9CI);1,3-Propanediol, di-p-toluenesulfonate(6CI,7CI);1,3-(Di-p-tosyl)propane;1,3-Bis(4-toluenesulfonyloxy)propane;1,3-Bis(toluenesulfonyloxy)propane;1,3-Bis(tosyloxy)propane;1,3-Di(tosyloxy)propane;1,3-Propanediol di-p-tosylate;1,3-Propanediolditosylate;1,3-Propanediyl di-p-toluenesulfonate;NSC 25205;Propane-1,3-diyldi-p-tosylate;Propylene glycol 1,3-ditosylate;Trimethylenebis(p-toluenesulfonate);
PSA 103.50000
LogP 4.96590

1,3-Bis(tosyloxy)propane Specification

The 1,3-Propanediol,1,3-bis(4-methylbenzenesulfonate), with CAS registry number 5469-66-9, belongs to the following product category: Propanes/propenes. It has the systematic name of propane-1,3-diyl bis(4-methylbenzenesulfonate). This chemical is a kind of white to off-white powder. And the chemical formula of this chemical is C₁₇H₂₀O₆S₂.

Physical properties of 1,3-Propanediol,1,3-bis(4-methylbenzenesulfonate): (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 103.5 Å²; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 95.72 cm³; (9)Molar Volume: 295.6 cm³; (10)Polarizability: 37.94×10^-24cm³; (11)Surface Tension: 47 dyne/cm; (12)Density: 1.3 g/cm³; (13)Flash Point: 294.4 °C; (14)Enthalpy of Vaporization: 81.49 kJ/mol; (15)Boiling Point: 563.1 °C at 760 mmHg; (16)Vapour Pressure: 3.98E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by toluene-4-sulfonyl chloride and propane-1,3-diol. This reaction will need reagent pyridine. The reaction temperature is 0 ℃.

When you are using this chemical, please be cautious about it as the following:
The 1,3-Propanediol,1,3-bis(4-methylbenzenesulfonate) irritates to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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)(OCCCOS(=O)(=O)c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1/C17H20O6S2/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
(3)InChIKey: ODVREDGIWSDQFD-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
(5)Std. InChIKey: ODVREDGIWSDQFD-UHFFFAOYSA-N

Product Name

1,3-PROPANEDIOL DI-P-TOLUENESULFONATE

1,3-Bis(tosyloxy)propane Specification

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