Isoxazole,5-bromo-3-phenyl- supplier

Name
5-bromo-3-phenyl-oxazole
EINECS
CAS No. 3356-92-1
Article Data6
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point
Formula C₉H₆BrNO
Boiling Point 320.7 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 147.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Phenyl-5-bromoisoxazole;NSC 295880;5-Bromo-3-phenyl-1,2-oxazole;
PSA 26.03000
LogP 3.10410

Isoxazole,5-bromo-3-phenyl- Specification

The Isoxazole,5-bromo-3-phenyl-, with the CAS registry number 3356-92-1, is also known as 3-Phenyl-5-bromoisoxazole. This chemical's molecular formula is C₉H₆BrNO and molecular weight is 224.05. What's more, its systematic name is 5-bromo-3-phenyl-1,2-oxazole.

Physical properties of Isoxazole,5-bromo-3-phenyl- are: (1)ACD/LogP: 2.36; (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=NOC(=C2)Br
(2)InChI: InChI=1S/C9H6BrNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: QTKOEUYSROXIRZ-UHFFFAOYSA-N

Product Name

5-bromo-3-phenyl-oxazole

Isoxazole,5-bromo-3-phenyl- Specification

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