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Name |
4-(Bromomethyl)-2-chlorooxazole |
EINECS | 604-604-1 |
CAS No. | 706789-08-4 | Density | 1.837 g/cm3 |
PSA | 26.03000 | LogP | 2.22290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H3BrClNO | Boiling Point | 249.9 °C at 760 mmHg |
Molecular Weight | 196.43 | Flash Point | 104.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(Bromomethyl)-2-chlorooxazole; |
The 4-(Bromomethyl)-2-chlorooxazole is an organic compound with the formula C4H3BrClNO. With the CAS registry number 706789-08-4, its IUPAC name is 4-(bromomethyl)-2-chloro-1,3-oxazole.
Physical properties of 4-(Bromomethyl)-2-chlorooxazole: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 1.88; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 15.79; (5)ACD/BCF (pH 7.4): 15.79; (6)ACD/KOC (pH 5.5): 250.84; (7)ACD/KOC (pH 7.4): 250.84; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.552; (11)Molar Refractivity: 34.18 cm3; (12)Molar Volume: 106.8 cm3; (13)Surface Tension: 47.2 dyne/cm; (14)Density: 1.837 g/cm3; (15)Flash Point: 104.9 °C; (16)Enthalpy of Vaporization: 46.75 kJ/mol; (17)Boiling Point: 249.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0353 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1nc(Cl)oc1
(2)InChI: InChI=1/C4H3BrClNO/c5-1-3-2-8-4(6)7-3/h2H,1H2
(3)InChIKey: LSGZUOHCHISPLI-UHFFFAOYAL