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| CAS No.: | 1121-03-5 |
|---|---|
| Name: | 4-Hydroxy-2-butanesulfonic acid gamma-sultone |
| Molecular Structure: | |
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| Formula: | C4H8O3S |
| Molecular Weight: | 136.172 |
| Synonyms: | 2-Butanesulfonicacid, 4-hydroxy-, g-sultone (7CI);2,4-Butanesultone; |
| EINECS: | 214-325-2 |
| Density: | 1.28g/cm3 |
| Melting Point: | -14 °C |
| Boiling Point: | 280.8 °C at 760 mmHg |
| Flash Point: | 123.6 °C |
| Transport Information: | 2810 |
| PSA: | 51.75000 |
| LogP: | 1.20580 |
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Specification
The 3-Methyl-1,2-oxathiolane 2,2-dioxide ,its cas register number is 1121-03-5.It also can be called as 2,4-Butanesultone or 4-Hydroxy-2-butanesulfonic acid gamma-sultone and the IUPAC name about this chemicals is 3-Methyloxathiolane 2,2-dioxide .Classification Code is Mutation data. HazardClass about this chemicals is 6.1(b) and PackingGroup is III.
Following are the chemical properties about 3-Methyl-1,2-oxathiolane 2,2-dioxide :(1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 0 ; (4)Polar Surface Area: 51.75 Å ; (5)Index of Refraction: 1.458 ; (6)Molar Refractivity: 29.05 cm3 ; (7)Molar Volume: 106.3 cm3 ; (8)Surface Tension: 33.9 dyne/cm; (9)Enthalpy of Vaporization: 49.87 kJ/mol ; (10)Vapour Pressure: 0.00631 mmHg at 25°C .
The 3-methyl-[1,2]oxathiolane 2,2-dioxide react with phthalimide; potassium salt can get 4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butane-2-sulfonic acid .
This chemicals can be described computed from structure:
(1)Canonical SMILES: CC1CCOS1(=O)=O
(2)InChI: InChI=1S/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3
(3)InChIKey: VWEYDBUEGDKEHC-UHFFFAOYSA-N