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CAS No.: | 203302-95-8 |
---|---|
Name: | 4-Bromo-3,5-difluoroaniline |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H4BrF2N |
Molecular Weight: | 208.005 |
Synonyms: | 3,5-Difluoro-4-bromoaniline; |
EINECS: | 642-716-1 |
Density: | 1.788 g/cm3 |
Melting Point: | 99-101 °C |
Boiling Point: | 223.7 °C at 760 mmHg |
Flash Point: | 89.1 °C |
Hazard Symbols: | Xi |
Transport Information: | UN 2811 |
PSA: | 26.02000 |
LogP: | 2.89070 |
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The CAS register number of 4-Bromo-3,5-difluoroaniline is 203302-95-8. It also can be called as 4-bromo-3,5-difluorophenylamine and the systematic name about this chemical is 4-bromo-3,5-difluoroaniline. The molecular formula about this chemical is C6H4BrF2N and the molecular weight is 208.00. It belongs to the following product categories which include Anilines, Aromatic Amines and Nitro Compounds; Aniline and so on.
Physical properties about 4-Bromo-3,5-difluoroaniline are: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 2.81; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 80.94; (5)ACD/BCF (pH 7.4): 80.96; (6)ACD/KOC (pH 5.5): 808.05; (7)ACD/KOC (pH 7.4): 808.23; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 38.16 cm3; (14)Molar Volume: 116.3 cm3; (15)Polarizability: 15.13x10-24cm3; (16)Surface Tension: 42.9 dyne/cm; (17)Flash Point: 89.1 °C; (18)Enthalpy of Vaporization: 46.02 kJ/mol; (19)Boiling Point: 223.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0949 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(N)cc(F)c1Br
(2)InChI: InChI=1/C6H4BrF2N/c7-6-4(8)1-3(10)2-5(6)9/h1-2H,10H2
(3)InChIKey: DKKUSFDAHRASGO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H4BrF2N/c7-6-4(8)1-3(10)2-5(6)9/h1-2H,10H2
(5)Std. InChIKey: DKKUSFDAHRASGO-UHFFFAOYSA-N