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| CAS No.: | 887267-47-2 |
|---|---|
| Name: | 2-BROMO-5-(TRIFLUOROMETHOXY)ANILINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H5BrF3NO |
| Molecular Weight: | 256.022 |
| Synonyms: | 2-Bromo-5-trifluoromethoxyaniline; |
| Density: | 1.726 g/cm3 |
| Boiling Point: | 234.7 °C at 760 mmHg |
| Flash Point: | 95.7 °C |
| PSA: | 35.25000 |
| LogP: | 3.51110 |
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Specification
This chemical is called 2-Bromo-5-(trifluoromethoxy)aniline, and it can also be named as benzenamine, 2-bromo-5-(trifluoromethoxy)-. With the molecular formula of C7H5BrF3NO, its molecular weight is 256.02. The CAS registry number of this chemical is 887267-47-2.
Other characteristics of the 2-Bromo-5-(trifluoromethoxy)aniline can be summarised as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.25 Å2; (9)Index of Refraction: 1.523; (10)Molar Refractivity: 45.31 cm3; (11)Molar Volume: 148.2 cm3; (12)Polarizability: 17.96×10-24cm3; (13)Surface Tension: 36.2 dyne/cm; (14)Density: 1.726 g/cm3; (15)Flash Point: 95.7 °C; (16)Enthalpy of Vaporization: 47.15 kJ/mol; (17)Boiling Point: 234.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0521 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1cc(OC(F)(F)F)ccc1Br
2.InChI: InChI=1/C7H5BrF3NO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2
3.InChIKey: MMRYEBVMIOYMIF-UHFFFAOYAT