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Name |
Isoxazole,3-bromo-5-phenyl- |
EINECS | N/A |
CAS No. | 10557-74-1 | Density | 1.524 g/cm3 |
PSA | 26.03000 | LogP | 3.10410 |
Solubility | N/A | Melting Point |
72-73℃ |
Formula | C9H6BrNO | Boiling Point | 320.7 °C at 760 mmHg |
Molecular Weight | 224.057 | Flash Point | 147.7°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromo-5-phenylisoxazole;NSC 295878;3-Bromo-5-phenyl-1,2-oxazole; |
Article Data | 2 |
The Isoxazole,3-bromo-5-phenyl-, with the CAS registry number 10557-74-1, is also known as 3-Bromo-5-phenylisoxazole. This chemical's molecular formula is C9H6BrNO and molecular weight is 224.05. What's more, its IUPAC name is 3-bromo-5-phenyl-1,2-oxazole.
Physical properties of Isoxazole,3-bromo-5-phenyl- are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.03 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 48.92 cm3; (9)Molar Volume: 146.9 cm3; (10)Polarizability: 19.39×10-24cm3; (11)Surface Tension: 44.4 dyne/cm; (12)Density: 1.524 g/cm3; (13)Flash Point: 147.7 °C; (14)Enthalpy of Vaporization: 54 kJ/mol; (15)Boiling Point: 320.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000587 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NO2)Br
(2)InChI: InChI=1S/C9H6BrNO/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: SMWZGZIZOHNWBH-UHFFFAOYSA-N