4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)- supplier

Name
2-(4-nitrophenyl)-4H-3,1-benzoxathiin-4-one
EINECS
CAS No. 55211-73-9
Article Data1
CAS DataBase
Density 1.441 g/cm³
Solubility
Melting Point
Formula C₁₄H₉NO₄S
Boiling Point 529.8 °C at 760 mmHg
Molecular Weight 287.296
Flash Point 274.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Nitrophenyl)-4H-3,1-benzoxathiin-4-one;
PSA
LogP

4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)- 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

Product Name

2-(4-nitrophenyl)-4H-3,1-benzoxathiin-4-one

4H-3,1-Benzoxathiin-4-one,2-(4-nitrophenyl)- Specification

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