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CAS No.: | 63758-12-3 |
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Name: | 2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL CHLORIDE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H7ClO4S |
Molecular Weight: | 234.66 |
Synonyms: | 1,4-Benzodioxan-6-sulfonylchloride;2,3-Dihydro-1,4-benzodioxin-6-sulfonyl chloride;2,3-Dihydrobenzo[b][1,4]dioxine-6-sulfonyl chloride; |
Density: | 1.513 g/cm3 |
Melting Point: | 66 °C |
Boiling Point: | 344.2 °C at 760 mmHg |
Flash Point: | 162 °C |
Hazard Symbols: | C,Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 60.98000 |
LogP: | 2.46610 |
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The 1,4-Benzodioxin-6-sulfonylchloride, 2,3-dihydro-, with the CAS registry number 63758-12-3, is also known as 2,3-Dihydro-1,4-benzodioxine-6-sulfonyl chloride. It belongs to the product category of Sulfonylhalide. This chemical's molecular formula is C8H7ClO4S and molecular weight is 234.66. Its systematic name is called 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride.
Physical properties of 1,4-Benzodioxin-6-sulfonylchloride, 2,3-dihydro-: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 65.88; (6)ACD/BCF (pH 7.4): 65.88; (7)ACD/KOC (pH 5.5): 697.39; (8)ACD/KOC (pH 7.4): 697.39; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 51.09 cm3; (14)Molar Volume: 155 cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.513 g/cm3; (17)Flash Point: 162 °C; (18)Enthalpy of Vaporization: 56.49 kJ/mol; (19)Boiling Point: 344.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000133 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It also may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc2OCCOc2c1
(2)InChI: InChI=1/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
(3)InChIKey: JWHSRWUHRLYAPM-UHFFFAOYAM