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55211-73-9

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Basic Information
CAS No.: 55211-73-9
Name: 2-(4-nitrophenyl)-4H-3,1-benzoxathiin-4-one
Article Data: 1
Molecular Structure:
Molecular Structure of 55211-73-9 (2-(4-nitrophenyl)-4H-3,1-benzoxathiin-4-one)
Formula: C14H9NO4S
Molecular Weight: 287.296
Synonyms: 2-(4-Nitrophenyl)-4H-3,1-benzoxathiin-4-one;
Density: 1.441 g/cm3
Boiling Point: 529.8 °C at 760 mmHg
Flash Point: 274.2 °C
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    55211-73-9

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    4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)- Appearance:White powder Storage:In Room Temperature Package:According customer request Application:Organic Chemicals Transportation:BY SEA OR AIR Port:SHANGHAI,PORT

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    4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)- cas 55211-73-9Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)-, with the CAS registry number of 55211-73-9, is also known as 2-(4-Nitrophenyl)-4H-3,1-benzoxathiin-4-one. Its molecular formula is C14H9NO4S and molecular weight is 287.290560. What's more, its IUPAC name is 2-(4-Nitrophenyl)-3,1-benzoxathiin-4-one.

Physical properties about the 4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)- are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 97.42 Å2; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 74.7 cm3; (9)Molar Volume: 199.3 cm3; (10)Surface Tension: 61.9 dyne/cm; (11)Density: 1.441 g/cm3; (12)Flash Point: 274.2 °C; (13)Enthalpy of Vaporization: 80.49 kJ/mol; (14)Boiling Point: 529.8 °C at 760 mmHg; (15)Vapour Pressure: 2.61E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)C2OC(=O)c3c(S2)cccc3
(2) InChI: InChI=1/C14H9NO4S/c16-13-11-3-1-2-4-12(11)20-14(19-13)9-5-7-10(8-6-9)15(17)18/h1-8,14H
(3) InChIKey: JGPYSTGKMNQEJQ-UHFFFAOYAS