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CAS No.: | 545396-54-1 |
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Name: | 2-CHLORO-4-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H7ClF3N |
Molecular Weight: | 257.642 |
Synonyms: | 2-Chloro-4-(4-trifluoromethylphenyl)pyridine; |
Density: | 1.332 g/cm3 |
Boiling Point: | 297.5 °C at 760 mmHg |
Flash Point: | 133.7 °C |
PSA: | 12.89000 |
LogP: | 4.42080 |
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The Pyridine, 2-chloro-4-[4-(trifluoromethyl)phenyl]- has CAS registry number 545396-54-1. It belongs to the product categories of Halides; Pyridines. This chemical's molecular formula is C12H7ClF3N and molecular weight is 257.64. What's more, its systematic name is 2-Chloro-4-[4-(trifluoromethyl)phenyl]pyridine.
Physical properties about Pyridine, 2-chloro-4-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.52; (10)Molar Refractivity: 58.81 cm3; (11)Molar Volume: 193.4 cm3; (12)Polarizability: 23.31×10-24 cm3; (13)Surface Tension: 34.2 dyne/cm; (14)Density: 1.332 g/cm3; (15)Flash Point: 133.7 °C; (16)Enthalpy of Vaporization: 51.59 kJ/mol; (17)Boiling Point: 297.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00238 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1c2ccnc(c2)Cl)C(F)(F)F
(2) InChI: InChI=1/C12H7ClF3N/c13-11-7-9(5-6-17-11)8-1-3-10(4-2-8)12(14,15)16/h1-7H
(3) InChIKey: QZJCMGUFPKZFGO-UHFFFAOYAR