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Name |
5-Bromo-3-chloro-1,2-benzoxazole |
EINECS | N/A |
CAS No. | 401567-43-9 | Density | 1.82 g/cm3 |
PSA | 26.03000 | LogP | 3.24370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3BrClNO | Boiling Point | 313.581 °C at 760 mmHg |
Molecular Weight | 232.46 | Flash Point | 143.449 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-3-chlorobenzo[d]isoxazole; |
The 5-Bromo-3-chloro-1,2-benzoxazole, with the CAS registry number 401567-43-9, is also known as 5-Bromo-3-chlorobenzo[d]isoxazole. This chemical's molecular formula is C7H3BrClNO and molecular weight is 232.46. What's more, its systematic name is 5-Bromo-3-chloro-1,2-benzoxazole.
Physical properties of 5-Bromo-3-chloro-1,2-benzoxazole are: (1)ACD/LogP: 2.997; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.00; (4)ACD/LogD (pH 7.4): 3.00; (5)ACD/BCF (pH 5.5): 111.57; (6)ACD/BCF (pH 7.4): 111.57; (7)ACD/KOC (pH 5.5): 1016.83; (8)ACD/KOC (pH 7.4): 1016.83; (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: 1.659; (14)Molar Refractivity: 47.072 cm3; (15)Molar Volume: 127.703 cm3; (16)Polarizability: 18.661×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.82 g/cm3; (19)Flash Point: 143.449 °C; (20)Enthalpy of Vaporization: 53.256 kJ/mol; (21)Boiling Point: 313.581 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)onc2Cl
(2)Std. InChI: InChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H
(3)Std. InChIKey: NJAYXZTVKFOBCT-UHFFFAOYSA-N