Oxazole, 2-(4-bromophenyl)- supplier

Name
2-(4-BROMO-PHENYL)-OXAZOLE
EINECS
CAS No. 176961-50-5
Article Data6
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point
Formula C₉H₆BrNO
Boiling Point 296.613 °C at 760 mmHg
Molecular Weight 224.057
Flash Point 133.187 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Bromophenyl)-1,3-oxazole;2-(4-Bromophenyl)oxazole;
PSA 26.03000
LogP 3.10410

Oxazole, 2-(4-bromophenyl)- Specification

This chemical is called Oxazole, 2-(4-bromophenyl)-, and its systematic name is 2-(4-bromophenyl)-1,3-oxazole. With the molecular formula of C₉H₆BrNO, its molecular weight is 224.05. The CAS registry number of this chemical is 176961-50-5.

Other characteristics of the Oxazole, 2-(4-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 190; (6)ACD/BCF (pH 7.4): 190; (7)ACD/KOC (pH 5.5): 1488; (8)ACD/KOC (pH 7.4): 1488; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 48.926 cm³; (15)Molar Volume: 146.921 cm³; (16)Polarizability: 19.396×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.525 g/cm³; (19)Flash Point: 133.187 °C; (20)Enthalpy of Vaporization: 51.494 kJ/mol; (21)Boiling Point: 296.613 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc2ccc(c1ncco1)cc2
2.InChI: InChI=1/C9H6BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
3.InChIKey: LAPKDKRJQXERIR-UHFFFAOYAZ

Product Name

2-(4-BROMO-PHENYL)-OXAZOLE

Oxazole, 2-(4-bromophenyl)- Specification

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