Oxazole,5-(3-bromophenyl)- supplier

Name
5-(3-BROMOPHENYL)-1,3-OXAZOLE
EINECS
CAS No. 243455-57-4
Article Data4
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point 57-61 °C
Formula C₉H₆BrNO
Boiling Point 303.9 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 137.6 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 5-(3-Bromophenyl)-1,3-oxazole;
PSA 26.03000
LogP 3.10410

Oxazole,5-(3-bromophenyl)- Specification

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

Product Name

5-(3-BROMOPHENYL)-1,3-OXAZOLE

Oxazole,5-(3-bromophenyl)- Specification

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