Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-2,4-difluoroaniline |
EINECS | N/A |
CAS No. | 452-92-6 | Density | 1.788 g/cm3 |
PSA | 26.02000 | LogP | 2.89070 |
Solubility | N/A | Melting Point |
25-29 °C(lit.) |
Formula | C6H4BrF2N | Boiling Point | 223.2 °C at 760 mmHg |
Molecular Weight | 208.005 | Flash Point | 88.8 °C |
Transport Information | UN 2811 | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T,Xi | |
Synonyms |
Aniline,5-bromo-2,4-difluoro- (6CI,8CI);2,4-Difluoro-5-bromoaniline;5-Bromo-2,4-difluoroaniline; |
Article Data | 6 |
This chemical is called 5-Bromo-2,4-difluoroaniline, and its systematic name is 5-Brom-2,4-difluoranilin. With the molecular formula of C6H4BrF2N, its molecular weight is 208.00. The CAS registry number of this chemical is 452-92-6. Additionally, its product categories are Other fluorin-contained compounds; Amines; C2 to C6; Nitrogen Compounds.
Other characteristics of the 5-Bromo-2,4-difluoroaniline can be summarised as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.75; (6)ACD/BCF (pH 7.4): 49.77; (7)ACD/KOC (pH 5.5): 570.33; (8)ACD/KOC (pH 7.4): 570.6; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 38.16 cm3; (15)Molar Volume: 116.3 cm3; (16)Polarizability: 15.13×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.788 g/cm3; (19)Flash Point: 88.8 °C; (20)Enthalpy of Vaporization: 45.97 kJ/mol; (21)Boiling Point: 223.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0974 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(cc(Br)c(F)c1)N
2.InChI: InChI=1/C6H4BrF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
3.InChIKey: FQZCUAASVCIWSL-UHFFFAOYAV