CAS No.31794-45-3,3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31794-45-3
Name:	3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONYL CHLORIDE
Article Data:	13

Formula:	C₈H₆ClNO₄S
Molecular Weight:	247.659
Synonyms:	2H-1,4-Benzoxazine-6-sulfonyl chloride, 3,4-dihydro-3-oxo-;
Density:	1.582 g/cm³
Melting Point:	178 °C
Boiling Point:	458 °C at 760 mmHg
Flash Point:	230.8 °C
Hazard Symbols:	C,Xi
Risk Codes:	14-29-34
Safety:	8-22-26-30-36/37/39-45
PSA:	80.85000
LogP:	2.16380

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- China (Mainland)(14)
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Specification

The 3,4-Dihydro-3-oxo-2H-1,4-benzoxazine-6-sulphonyl chloride, with the CAS registry number 31794-45-3, is also known as 2H-1,4-Benzoxazine-6-sulfonyl chloride, 3,4-dihydro-3-oxo-. This chemical's molecular formula is C₈H₆ClNO₄S and molecular weight is 247.66. Its systematic name is called 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride.

Physical properties of 3,4-Dihydro-3-oxo-2H-1,4-benzoxazine-6-sulphonyl chloride: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 1.73; (5)ACD/BCF (pH 7.4): 1.73; (6)ACD/KOC (pH 5.5): 51.5; (7)ACD/KOC (pH 7.4): 51.49; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 53.11 cm³; (13)Molar Volume: 156.4 cm³; (14)Surface Tension: 53.3 dyne/cm; (15)Density: 1.582 g/cm³; (16)Flash Point: 230.8 °C; (17)Enthalpy of Vaporization: 71.82 kJ/mol; (18)Boiling Point: 458 °C at 760 mmHg; (19)Vapour Pressure: 1.42E-08 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 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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc1OCC(=O)Nc1c2
(2)InChI: InChI=1/C8H6ClNO4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)
(3)InChIKey: CGTCULUUVYBAPX-UHFFFAOYAP