4-Bromobenzo[d]oxazole supplier

Name
4-Bromobenzo[d]oxazole
EINECS
CAS No. 217326-65-3
Article Data4
CAS DataBase
Density 1.71 g/cm³
Solubility
Melting Point
Formula C₇H₄BrNO
Boiling Point 251.2 °C at 760 mmHg
Molecular Weight 198.019
Flash Point 105.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoxazole,4-broMo-
PSA 26.03000
LogP 2.59030

4-Bromobenzo[d]oxazole Specification

The 4-Bromobenzo[d]oxazole, with CAS registry number 217326-65-3, has the systematic name of 4-bromo-1,3-benzoxazole. Besides this, it is also called 4-Bromobenzo[d]oxazole. And the chemical formula of this chemical is C₇H₄BrNO. Its molecular weight is 198.02.

Physical properties of 4-Bromobenzo[d]oxazole: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.72; (6)ACD/BCF (pH 7.4): 36.72; (7)ACD/KOC (pH 5.5): 458.96; (8)ACD/KOC (pH 7.4): 458.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 42.17 cm³; (15)Molar Volume: 115.7 cm³; (16)Polarizability: 16.72×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 46.87 kJ/mol; (21)Boiling Point: 251.2 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cccc1ocnc12
(2)InChI: InChI=1/C7H4BrNO/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
(3)InChIKey: WFIQVHAZXAORPG-UHFFFAOYAG

Product Name

4-Bromobenzo[d]oxazole

4-Bromobenzo[d]oxazole Specification

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