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Name |
2-(3-Bromophenyl)-5-ethy-1,3,4-oxadiazole |
EINECS | N/A |
CAS No. | 957065-88-2 | Density | 1.463 g/cm3 |
PSA | 38.92000 | LogP | 3.06150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9BrN2O | Boiling Point | 351.7 °C at 760 mmHg |
Molecular Weight | 253.098 | Flash Point | 166.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole |
The CAS registry number of 2-(3-Bromophenyl)-5-ethy-1,3,4-oxadiazoley is 957065-88-2. It belongs to the product categories of Azoles; Blocks; Bromides. This chemical's molecular formula is C10H9BrN2O and molecular weight is 253.0953. What's more, systematic name is called 2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-(3-Bromophenyl)-5-ethy-1,3,4-oxadiazoley are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 38.92 Å2; (9)Index of Refraction: 1.567; (10)Molar Refractivity: 56.56 cm3; (11)Molar Volume: 172.9 cm3; (12)Polarizability: 22.42×10-24 cm3; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.463 g/cm3; (15)Flash Point: 166.5 °C; (16)Enthalpy of Vaporization: 57.29 kJ/mol; (17)Boiling Point: 351.7 °C at 760 mmHg; (18)Vapour Pressure: 8.17E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCc1nnc(o1)c2cccc(c2)Br
(2) InChI: InChI=1/C10H9BrN2O/c1-2-9-12-13-10(14-9)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
(3) InChIKey: SWAUFAYIAMQUMJ-UHFFFAOYAP