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CAS No.: | 243455-57-4 |
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Name: | 5-(3-BROMOPHENYL)-1,3-OXAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H6BrNO |
Molecular Weight: | 224.057 |
Synonyms: | 5-(3-Bromophenyl)-1,3-oxazole; |
Density: | 1.524 g/cm3 |
Melting Point: | 57-61 °C |
Boiling Point: | 303.9 °C at 760 mmHg |
Flash Point: | 137.6 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 26.03000 |
LogP: | 3.10410 |
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The Oxazole,5-(3-bromophenyl)-, with the CAS registry number 243455-57-4, is also known as 5-(3-Bromophenyl)-1,3-oxazole 97%. It belongs to the product category of Heterocycles. This chemical's molecular formula is C9H6BrNO and molecular weight is 224.054. Its systematic name is called 5-(3-bromophenyl)-1,3-oxazole.
Physical properties of Oxazole,5-(3-bromophenyl)-: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 51.54; (5)ACD/BCF (pH 7.4): 51.54; (6)ACD/KOC (pH 5.5): 585; (7)ACD/KOC (pH 7.4): 585; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 48.92 cm3; (12)Molar Volume: 146.9 cm3; (13)Surface Tension: 44.4 dyne/cm; (14)Density: 1.524 g/cm3; (15)Flash Point: 137.6 °C; (16)Enthalpy of Vaporization: 52.25 kJ/mol; (17)Boiling Point: 303.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)c2ocnc2
(2)InChI: InChI=1/C9H6BrNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H
(3)InChIKey: GUYZQMXSOVOSIC-UHFFFAOYAO