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Name |
Benzenamine,2-bromo-4,6-difluoro-,hydrobromide (1:1) |
EINECS | N/A |
CAS No. | 101471-20-9 | Density | N/A |
PSA | 26.02000 | LogP | 3.84880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5Br2F2N | Boiling Point | 208 °C at 760 mmHg |
Molecular Weight | 288.917 | Flash Point | 79.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenamine,2-bromo-4,6-difluoro-,hydrobromide (9CI);2-Bromo-4,6-difluoroanilinehydrobromide;2-Bromo-4,6-difluoroaniline hydrobromide,tech; |
Article Data | 2 |
The Benzenamine, 2-bromo-4, 6-difluoro-, hydrobromide (1:1), with the CAS registry number 101471-20-9, is also known as 2-Bromo-4, 6-difluoroaniline hydrobromide, tech. This chemical's molecular formula is C6H5Br2F2N and molecular weight is 288.92. What's more, its IUPAC name is 2-Bromo-4, 6-difluoroaniline hydrobromide.
Physical properties about Benzenamine, 2-bromo-4, 6-difluoro-, hydrobromide (1:1) are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.99; (6)ACD/BCF (pH 7.4): 73.99; (7)ACD/KOC (pH 5.5): 757.78; (8)ACD/KOC (pH 7.4): 757.82; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12) Polar Surface Area: 3.24 Å2; (13)Flash Point: 79.6 °C; (14)Enthalpy of Vaporization: 44.42 kJ/mol; (15)Boiling Point: 208 °C at 760 mmHg; (16)Vapour Pressure: 0.219 mmHg at 25 °C.
Preparation of Benzenamine, 2-bromo-4, 6-difluoro-, hydrobromide (1:1): this chemical is prepared by 2, 4-Difluoro-aniline at ambient temperature. The reaction needs reagent Br2 and solvent Acetic acid. The reaction time is 15 minutes and the yield is about 91 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)cc(Br)c1N.Br
(2) InChI: InChI=1/C6H4BrF2N.BrH/c7-4-1-3(8)2-5(9)6(4)10;/h1-2H,10H2;1H
(3) InChIKey: OYZFQVSHRSBJIJ-UHFFFAOYAH