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Cas Database |
| Name |
4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride |
EINECS | N/A |
| CAS No. | 892948-94-6 | Density | 1.415 g/cm3 |
| PSA | 54.99000 | LogP | 2.58850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H10ClNO3S | Boiling Point | 387.7 °C at 760 mmHg |
| Molecular Weight | 247.702 | Flash Point | 188.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride; |
Article Data | 9 |
4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride Specification
The 4-Methyl-3, 4-dihydro-2H-1, 4-benzoxazine-6-sulfonyl chloride has CAS registry number 892948-94-6. This chemical's molecular formula is C9H10ClNO3S and molecular weight is 247.70. What's more, its systematic name is 4-Methyl-2, 3-dihydro-1, 4-benzoxazine-6-sulfonyl chloride.
Physical properties about 4-Methyl-3, 4-dihydro-2H-1, 4-benzoxazine-6-sulfonyl chloride are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 54.99 Å2; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 57.86 cm3; (11)Molar Volume: 175 cm3; (12)Polarizability: 22.93×10-24 cm3; (13)Surface Tension: 46 dyne/cm; (14)Density: 1.415 g/cm3; (15)Flash Point: 188.3 °C; (16)Enthalpy of Vaporization: 63.68 kJ/mol; (17)Boiling Point: 387.7 °C at 760 mmHg; (18)Vapour Pressure: 3.22E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCOc2c1cc(cc2)S(=O)(=O)Cl
(2) InChI: InChI=1/C9H10ClNO3S/c1-11-4-5-14-9-3-2-7(6-8(9)11)15(10,12)13/h2-3,6H,4-5H2,1H3
(3) InChIKey: LHMOALYDXXCXLZ-UHFFFAOYAY
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