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3-Amino-2,6-dichloro-4-(trifluoromethyl)pyridine

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Name

3-Amino-2,6-dichloro-4-(trifluoromethyl)pyridine

EINECS N/A
CAS No. 175277-67-5 Density 1.623 g/cm3
PSA 38.91000 LogP 3.57060
Solubility N/A Melting Point 45-48 °C
Formula C6H3Cl2F3N2 Boiling Point 279.753 °C at 760 mmHg
Molecular Weight 231.004 Flash Point 122.991 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 175277-67-5 (3-AMINO-2,6-DICHLORO-4-(TRIFLUOROMETHYL)PYRIDINE) Hazard Symbols IrritantXi
Synonyms

2,6-dichloro-4-(trifluoromethyl)pyridin-3-amine;

 

3-Amino-2,6-dichloro-4-(trifluoromethyl)pyridine Specification

The 3-Pyridinamine,2,6-dichloro-4-(trifluoromethyl)-, with the CAS registry number 175277-67-5, has the systematic name and IUPAC name of 2,6-dichloro-4-(trifluoromethyl)pyridin-3-amine. It belongs to the product category of Pyridine. And the molecular formula of the chemical is C6H3Cl2F3N2.

The characteristics of 3-Pyridinamine,2,6-dichloro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 455.9; (6)ACD/BCF (pH 7.4): 455.9; (7)ACD/KOC (pH 5.5): 2785; (8)ACD/KOC (pH 7.4): 2785; (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: 1.521; (14)Molar Refractivity: 43.35 cm3; (15)Molar Volume: 142.3 cm3; (16)Polarizability: 17.18×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.622 g/cm3; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 51.85 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00394 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harnful by inhalation, in contact with skin and if swallowed. 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: Clc1nc(Cl)cc(c1N)C(F)(F)F
(2)InChI: InChI=1/C6H3Cl2F3N2/c7-3-1-2(6(9,10)11)4(12)5(8)13-3/h1H,12H2
(3)InChIKey: BVJJNBRZQVLPIC-UHFFFAOYAQ

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