CAS No.2693-57-4,4-AMINO-3-CHLORO-2,5,6-TRIFLUOROPYRIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2693-57-4
Name:	4-AMINO-3-CHLORO-2,5,6-TRIFLUOROPYRIDINE
Article Data:	12

Formula:	C₅H₂ClF₃N₂
Molecular Weight:	182.53
Synonyms:	Pyridine,4-amino-3-chloro-2,5,6-trifluoro- (8CI);(3-Chloro-2,5,6-trifluoropyridin-4-yl)amine;2,3,6-Trifluoro-5-chloro-4-aminopyridine;3-Chloro-2,5,6-trifluoro-4-pyridinamine;3-Chloro-2,5,6-trifluoropyrid-4-ylamine;3-Chloro-4-aminoperfluoropyridine;4-Amino-3-chloro-2,5,6-trifluoropyridine;4-Amino-3-chlorotrifluoropyridine;
Density:	1.666 g/cm³
Melting Point:	120-121ºC
Boiling Point:	243.8 °C at 760 mmHg
Flash Point:	101.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	38.91000
LogP:	2.31570

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Specification

The 4-Amino-3-chloro-2,5,6-trifluoropyridine, with the cas registry number 2693-57-4, has the systematic name of 3-chloro-2,5,6-trifluoropyridin-4-amine. It belongs to the following product categories: C5; Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. And the molecular formula of the chemical is C₅H₂ClF₃N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.72; (6)ACD/BCF (pH 7.4): 43.72; (7)ACD/KOC (pH 5.5): 520.03; (8)ACD/KOC (pH 7.4): 520.03; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 33.45 cm³; (15)Molar Volume: 109.5 cm³; (16)Polarizability: 13.26×10^-24cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.666 g/cm³; (19)Flash Point: 101.3 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 243.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0314 mmHg at 25°C.

Preparation of 4-Amino-3-chloro-2,5,6-trifluoropyridine: This chemical can be prepared by 3-chloro-2,4,5,6-tetrafluoro-pyridine. The reaction will need reagent aq. NH₄OH. The reaction time is 5 hours with temperature of 20°C, and the yield is about 99%.

Uses of 4-Amino-3-chloro-2,5,6-trifluoropyridine: It can be used to produce 2,3,6-trifluoro-pyridin-4-ylamine. This reaction will need reagent Et₃N and H₂, catalyst 10% Pd/C, and the menstruum ethanol. The reaction time is 18 hours with pressure of 2585.74Pa, and the yield is about 96%.

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 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: Clc1c(N)c(F)c(F)nc1F
(2)InChI: InChI=1/C5H2ClF3N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
(3)InChIKey: IJGMBUFHHBUVNG-UHFFFAOYAP