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84477-04-3

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Basic Information
CAS No.: 84477-04-3
Name: 2,3,4-Trifluoropyridine
Molecular Structure:
Molecular Structure of 84477-04-3 (2,3,4-Trifluoropyridine)
Formula: C5H2F3N
Molecular Weight: 133.073
Synonyms: pyridine, 2,3,4-trifluoro-;trifluoroperazine;
Density: 1.396 g/cm3
Boiling Point: 115.8 °C at 760 mmHg
Flash Point: 23.8 °C
PSA: 12.89000
LogP: 1.49890
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Specification

The 2,3,4-Trifluoropyridine, with the CAS registry number 84477-04-3, is also called trifluoroperazine or pyridine, 2,3,4-trifluoro-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C5H2F3N.

The characteristics of 2,3,4-Trifluoropyridine are as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 63.99; (8)ACD/KOC (pH 7.4): 63.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 24.32 cm3; (15)Molar Volume: 95.2 cm3; (16)Polarizability: 9.64×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 23.8 °C; (20)Enthalpy of Vaporization: 33.95 kJ/mol; (21)Boiling Point: 115.8 °C at 760 mmHg; (22)Vapour Pressure: 22.3 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cnc(c(c1F)F)F
(2)InChI: InChI=1/C5H2F3N/c6-3-1-2-9-5(8)4(3)7/h1-2H
(3)InChIKey: SLEJZQYOXXCDQU-UHFFFAOYAD