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627511-04-0

Basic Information
CAS No.: 627511-04-0
Name: 2-(4-TRIFLUOROMETHYLPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 627511-04-0 (2-(4-TRIFLUOROMETHYLPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE)
Formula: C14H9F3N2
Molecular Weight: 262.234
Synonyms: 2-[4-(Trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine;2-(4-Trifluoromethylphenyl)-1H-pyrrolo[2,3-c]pyridine;
Density: 1.352 g/cm3
Boiling Point: 402.9 °C at 760 mmHg
Flash Point: 197.5 °C
PSA: 28.68000
LogP: 4.24870
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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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    2-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLO[2,3-C]PYRIDINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The 1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- is an organic compound with the formula C14H9F3N2. The IUPAC name of this chemical is 2-[4-(Trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine. With the CAS registry number 627511-04-0, it is also named as 2-(4-Trifluoromethylphenyl)-1H-pyrrolo[2,3-c]pyridine. The category of the product is pharmacetical. Besides, its molecular weight is 262.23.

The physical properties of 1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 3.89; (4)ACD/BCF (pH 5.5): 14.99; (5)ACD/BCF (pH 7.4): 458.92; (6)ACD/KOC (pH 5.5): 76.79; (7)ACD/KOC (pH 7.4): 2350.77; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 66.19 cm3; (14)Molar Volume: 193.8 cm3; (15)Polarizability: 26.24×10-24 cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Density: 1.352 g/cm3; (18)Flash Point: 197.5 °C; (19)Enthalpy of Vaporization: 62.86 kJ/mol; (20)Boiling Point: 402.9 °C at 760 mmHg; (21)Vapour Pressure: 2.46E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c3ccc(c2cc1ccncc1n2)cc3
(2)InChI: InChI=1/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H
(3)InChIKey: QGKYNZWMNUTCSE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H
(5)Std. InChIKey: QGKYNZWMNUTCSE-UHFFFAOYSA-N