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| CAS No.: | 157026-19-2 |
|---|---|
| Name: | 5-BROMO-2,3-DIAMINOBENZOTRIFLUORIDE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H6BrF3N2 |
| Molecular Weight: | 255.037 |
| Synonyms: | 2,3-Diamino-5-bromobenzotrifluoride;5-Bromo-3-(trifluoromethyl)-1,2-benzenediamine; |
| Density: | 1.775 g/cm3 |
| Boiling Point: | 268.801 °C at 760 mmHg |
| Flash Point: | 116.367 °C |
| PSA: | 52.04000 |
| LogP: | 3.79470 |
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- Total:26 Page 1 of 1 1
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Specification
This chemical is called 1,2-Benzenediamine,5-bromo-3-(trifluoromethyl)-, and its systematic name is 5-bromo-3-(trifluoromethyl)benzene-1,2-diamine. With the molecular formula of C7H6BrF3N2, its molecular weight is 255.035. The CAS registry number of this chemical is 157026-19-2.
Other characteristics of the 1,2-Benzenediamine,5-bromo-3-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 324; (6)ACD/BCF (pH 7.4): 324; (7)ACD/KOC (pH 5.5): 2182; (8)ACD/KOC (pH 7.4): 2182; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 47.395 cm3; (15)Molar Volume: 143.689 cm3; (16)Polarizability: 18.789×10-24cm3; (17)Surface Tension: 42.392 dyne/cm; (18)Density: 1.775 g/cm3; (19)Flash Point: 116.367 °C; (20)Enthalpy of Vaporization: 50.69 kJ/mol; (21)Boiling Point: 268.801 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(c(N)c(N)c1)C(F)(F)F
2.InChI: InChI=1/C7H6BrF3N2/c8-3-1-4(7(9,10)11)6(13)5(12)2-3/h1-2H,12-13H2
3.InChIKey: PVHRHJXBSIOEGL-UHFFFAOYAA