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5-Bromo-2,4-difluoroaniline

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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 Molecular Structure of 452-92-6 (5-Bromo-2,4-difluoroaniline) Hazard Symbols ToxicT,IrritantXi
Synonyms

Aniline,5-bromo-2,4-difluoro- (6CI,8CI);2,4-Difluoro-5-bromoaniline;5-Bromo-2,4-difluoroaniline;

Article Data 6

5-Bromo-2,4-difluoroaniline Specification

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

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