Benzoxazole,2-(4-bromophenyl)- supplier

Name
2-(4-BROMO-PHENYL)-BENZOOXAZOLE
EINECS
CAS No. 3164-13-4
Article Data126
CAS DataBase
Density 1.514 g/cm³
Solubility
Melting Point 158-159℃
Formula C₁₃H₈BrNO
Boiling Point 339.1 °C at 760 mmHg
Molecular Weight 274.117
Flash Point 158.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoxazole,2-(p-bromophenyl)- (6CI,7CI,8CI);2-(4-Bromophenyl)-1,3-benzoxazole;2-(4-Bromophenyl)benzoxazole;2-(p-Bromophenyl)benzoxazole;
PSA 26.03000
LogP 4.25730

Benzoxazole,2-(4-bromophenyl)- Specification

The Benzoxazole,2-(4-bromophenyl)-, with the CAS registry number 3164-13-4, is also known as 2-(4-Bromo-phenyl)-benzooxazole. This chemical's molecular formula is C₁₃H₈BrNO and molecular weight is 274.11272. What's more, its systematic name is called 2-(4-Bromophenyl)-1,3-benzoxazole.

Physical properties about Benzoxazole,2-(4-bromophenyl)- are: (1)ACD/LogP: 4.95; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 3417.7; (6)ACD/BCF (pH 7.4): 3417.7; (7)ACD/KOC (pH 5.5): 11777.16; (8)ACD/KOC (pH 7.4): 11777.17; (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: 1.659; (14)Molar Refractivity: 66.76 cm³; (15)Molar Volume: 181 cm³; (16)Polarizability: 26.46×10^-24 cm³; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.514 g/cm³; (19)Flash Point: 158.9 °C; (20)Enthalpy of Vaporization: 55.94 kJ/mol; (21)Boiling Point: 339.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000185 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)c2nc3ccccc3o2
(2) InChI: InChI=1/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
(3) InChIKey: RBVHJNZMSBQFDK-UHFFFAOYAJ

Product Name

2-(4-BROMO-PHENYL)-BENZOOXAZOLE

Benzoxazole,2-(4-bromophenyl)- Specification

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