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| CAS No.: | 115010-10-1 |
|---|---|
| Name: | BENZO[1,3]DIOXOLE-5-SULFONYL CHLORIDE |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5ClO4S |
| Molecular Weight: | 220.633 |
| Synonyms: | 5-Benzodioxolesulfonylchloride;1,3-Benzodioxole-5-sulfonylchloride; |
| Density: | 1.607 g/cm3 |
| Melting Point: | 46-49 |
| Boiling Point: | 326.5 °C at 760 mmHg |
| Flash Point: | 151.3 °C |
| Hazard Symbols: |
 C;  Xi
|
| Risk Codes: | C,Xi:Corrosive/Moisture">
 C,Xi:Corrosive/Moisture
|
| Safety: | 26-36/37/39-45 |
| PSA: | 60.98000 |
| LogP: | 2.42360 |
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- Total:30 Page 1 of 1 1
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Specification
The 1,3-Benzodioxole-5-sulfonylchloride, with the CAS registry number 115010-10-1, has the systematic name of 1,3-benzodioxole-5-sulfonyl chloride. It is a kind of moisture sensitive chemical, and the molecular formula of this chemical is C7H5ClO4S.
The physical properties of 1,3-Benzodioxole-5-sulfonylchloride are as following: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 60.98 Å2; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 46.46 cm3; (9)Molar Volume: 137.2 cm3; (10)Polarizability: 18.41×10-24cm3; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.607 g/cm3; (13)Flash Point: 151.3 °C; (14)Enthalpy of Vaporization: 54.61 kJ/mol; (15)Boiling Point: 326.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000409 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc2OCOc2c1
(2)InChI: InChI=1/C7H5ClO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
(3)InChIKey: ICUBASIDCXDQAW-UHFFFAOYAB