-
Name
4-Chloro-2,3,5,6-tetrafluoropyridine
- EINECS
- CAS No. 52026-98-9
- Article Data3
- CAS DataBase
- Density 1.664 g/cm3
- Solubility
- Melting Point
- Formula C5ClF4N
- Boiling Point 136.1 °C at 760 mmHg
- Molecular Weight 185.508
- Flash Point 36.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
T
- Synonyms 2,3,5,6-Tetrafluoro-4-chloropyridine;Pyridine, 4-chloro-2,3,5,6-tetrafluoro-;4-Chloro-2,3,5,6-tetrafluoro-pyridine;
- PSA 12.89000
- LogP 2.29140
4-Chloro-2,3,5,6-tetrafluoropyridine Specification
This chemical is called 4-Chloro-2,3,5,6-tetrafluoropyridine, and it can also be named as Pyridine, 4-chloro-2,3,5,6-tetrafluoro-. With the CAS registry number of 52026-98-9, its molecular formula is C5ClF4N. In addition, the molecular weight of this chemical is 185.51.
Other characteristics of the 4-Chloro-2,3,5,6-tetrafluoropyridine can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.59; (6)ACD/BCF (pH 7.4): 2.59; (7)ACD/KOC (pH 5.5): 68.75; (8)ACD/KOC (pH 7.4): 68.75; (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: 1.437; (14)Molar Refractivity: 29.21 cm3; (15)Molar Volume: 111.4 cm3; (16)Polarizability: 11.58×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.664 g/cm3; (19)Flash Point: 36.1 °C; (20)Enthalpy of Vaporization: 35.81 kJ/mol; (21)Boiling Point: 136.1 °C at 760 mmHg; (22)Vapour Pressure: 9.26 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(F)c(F)nc(F)c1F
(2)InChI: InChI=1/C5ClF4N/c6-1-2(7)4(9)11-5(10)3(1)8
(3)InChIKey: LLHMNSNECXJBQY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5ClF4N/c6-1-2(7)4(9)11-5(10)3(1)8 (5)Std. InChIKey: LLHMNSNECXJBQY-UHFFFAOYSA-N
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