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Basic Information
CAS No.: 101471-20-9
Name: 2-BROMO-4,6-DIFLUOROANILINE HYDROBROMIDE
Molecular Structure:
Molecular Structure of 101471-20-9 (2-BROMO-4,6-DIFLUOROANILINE HYDROBROMIDE)
Formula: C6H5Br2F2N
Molecular Weight: 288.917
Synonyms: Benzenamine,2-bromo-4,6-difluoro-,hydrobromide (9CI);2-Bromo-4,6-difluoroanilinehydrobromide;2-Bromo-4,6-difluoroaniline hydrobromide,tech;
Boiling Point: 208 °C at 760 mmHg
Flash Point: 79.6 °C
PSA: 26.02000
LogP: 3.84880
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Specification

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 %.

Benzenamine,2-bromo-4,6-difluoro-,hydrobromide (1:1) can be obtained by 2,4-Difluoro-aniline

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