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Isoxazole,3-bromo-5-phenyl-

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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 Molecular Structure of 10557-74-1 (3-BROMO-5-PHENYL-ISOXAZOLE) Hazard Symbols N/A
Synonyms

3-Bromo-5-phenylisoxazole;NSC 295878;3-Bromo-5-phenyl-1,2-oxazole;

Article Data 2

Isoxazole,3-bromo-5-phenyl- Specification

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

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