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Name |
5-Bromobenzooxazole |
EINECS | N/A |
CAS No. | 132244-31-6 | Density | 1.711g/cm3 |
PSA | 26.03000 | LogP | 2.59030 |
Solubility | N/A | Melting Point |
38-40°C |
Formula | C7H4BrNO | Boiling Point | 251.169 °C at 760 mmHg |
Molecular Weight | 198.019 | Flash Point | 105.704 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-Bromobenzo[d]oxazole;5-Bromobenzoxazole; |
Article Data | 16 |
The 5-Bromobenzooxazole, with CAS registry number 132244-31-6, belongs to the following product category: Miscellaneous. It has the systematic name of 5-bromo-1,3-benzoxazole. Besides this, it is also called benzoxazole, 5-bromo-. And the chemical formula of this chemical is C7H4BrNO.
Physical properties of 5-Bromobenzooxazole: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 459; (8)ACD/KOC (pH 7.4): 459; (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: 42.176 cm3; (15)Molar Volume: 115.752 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 51.264 dyne/cm; (18)Enthalpy of Vaporization: 46.871 kJ/mol; (19)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2ncoc2cc1
(2)InChI: InChI=1/C7H4BrNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
(3)InChIKey: PGOGTWDYLFKOHI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H4BrNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
(5)Std. InChIKey: PGOGTWDYLFKOHI-UHFFFAOYSA-N