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2,3,4,5-Tetrafluoroaniline

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Name

2,3,4,5-Tetrafluoroaniline

EINECS 276-218-7
CAS No. 5580-80-3 Density 1.52 g/cm3
PSA 26.02000 LogP 2.40640
Solubility N/A Melting Point 27-29 °C(lit.)
Formula C6H3F4N Boiling Point 191 °C at 760 mmHg
Molecular Weight 165.09 Flash Point 79.4 °C
Transport Information N/A Appearance colorless or light yellow liquid
Safety 26-27-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5580-80-3 (2,3,4,5-Tetrafluoroaniline) Hazard Symbols IrritantXi
Synonyms

Aniline, 2,3,4,5-tetrafluoro- (8CI);Benzenamine, 2,3,4,5-tetrafluoro- (9CI);

Article Data 7

2,3,4,5-Tetrafluoroaniline Specification

The 2,3,4,5-Tetrafluoroaniline, with the CAS registry number 5580-80-3, is also called benzenamine, 2,3,4,5-tetrafluoro-. It belongs to the following product categories: Aniline; Amines; C2 to C6; Nitrogen Compounds. And the molecular formula of the chemical is C6H3F4N.

The characteristics of 2,3,4,5-Tetrafluoroaniline are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.7; (6)ACD/BCF (pH 7.4): 30.7; (7)ACD/KOC (pH 5.5): 403.71; (8)ACD/KOC (pH 7.4): 403.73; (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: 1.473; (14)Molar Refractivity: 30.46 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 12.07×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 42.72 kJ/mol; (21)Boiling Point: 191 °C at 760 mmHg; (22)Vapour Pressure: 0.527 mmHg at 25°C.

Uses of 2,3,4,5-Tetrafluoroaniline: It can react with propane-1,2,3-triol to produce 5,6,7,8-tetrafluoro-quinoline. This reaction will need reagent Condensation and cyclization, and the menstruum sodium m-nitrobenzenesulfonate, 80% aq. H2SO4. The reaction time is 4 hours with temperature of 140°C, and the yield is about 75%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and take off immediately all contaminated clothing. What's more, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(F)c(F)cc(N)c1F
(2)InChI: InChI=1/C6H3F4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
(3)InChIKey: BEECAQIHCYTZHC-UHFFFAOYAO

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