Basic information
- Name:
1,2-Ethanediolditosylate
- CAS No.:
6315-52-2
- Molecular Structure:
- Formula:
- C16H18O6S2
- Molecular Weight:
- 370.44
- Synonyms:
- Ethylenedi-p-toluenesulfonate;NSC 21094;Ethylene glycol ditosylate;Ethylene glycol ditoluenesulfonate;1,2-Bis(p-tolylsulfonyloxy)ethane;1,2-Bistosyloxy ethane;1,2-Bis(p-toluenesulfonyloxy)ethane;1,2-Bis(4-methylbenzenesulfonyloxy)ethane;Ethylene glycol, di-p-toluenesulfonate(6CI,8CI);Ethylene glycoldi-p-tosylate;Ethylene glycol bis(p-toluenesulfonate);Di-O-tosylglycol;Ethylene 1,2-bis(tosylate);1,2-Ethylene ditosylate;1,2-Ethanediol ditosylate;1,2-Di(tosyloxy)ethane;1,2-Ethanediol,bis(4-methylbenzenesulfonate) (9CI);
- Density:
- 1.326 g/cm3
- Melting Point:
- 124-127 °C(lit.)
- Boiling Point:
- 544.3 °C at 760 mmHg
- Flash Point:
- 283 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Specification
The CAS register number of 1,2-Ethanediol,1,2-bis(4-methylbenzenesulfonate) is 6315-52-2. It also can be called as Ethylenedi-p-toluenesulfonate and the systematic name about this chemical is ethane-1,2-diyl bis(4-methylbenzenesulfonate). The molecular formula about this chemical is C16H18O6S2 and the molecular weight is 370.44.
Physical properties about 1,2-Ethanediol,1,2-bis(4-methylbenzenesulfonate) are: (1)ACD/LogP: 2.69; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 103.5 Å2; (5)Index of Refraction: 1.566; (6)Molar Refractivity: 91.09 cm3; (7)Molar Volume: 279.1 cm3; (8)Polarizability: 36.11x10-24cm3; (9)Surface Tension: 47.8 dyne/cm; (10)Density: 1.326 g/cm3; (11)Flash Point: 283 °C; (12)Enthalpy of Vaporization: 79.21 kJ/mol; (13)Boiling Point: 544.3 °C at 760 mmHg; (14)Vapour Pressure: 2.35E-11 mmHg at 25 °C.
Preparation: this chemical can be prepared by ethane-1,2-diol and toluene-4-sulfonyl chloride. This reaction will need reagent of pyridine and solvent of CH2Cl2. The reaction time is 3 hours with ambient temperature. The yield is about 50.2%.
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Uses of 1,2-Ethanediol,1,2-bis(4-methylbenzenesulfonate): it can be used to produce N-[2-(toluene-4-sulfonyloxy)-ethyl]-phthalimide with phthalimide; potassium salt. This reaction will need reagent of dimethylformamide. The reaction temperature is 50 °C. The yield is about 77%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable gloves and eye/face protection. In case of 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)(OCCOS(=O)(=O)c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
(3)InChIKey: LZIPBJBQQPZLOR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
(5)Std. InChIKey: LZIPBJBQQPZLOR-UHFFFAOYSA-N