Benzaldehyde,4-[2,2':6',2''-terpyridin]-4'-yl- supplier

Name
4-(2,2':6',2''-TERPYRIDIN-4'-YL)BENZALDEHYDE
EINECS
CAS No. 138253-30-2
Article Data16
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₂₂H₁₅N₃O
Boiling Point 525.9 °C at 760 mmHg
Molecular Weight 337.381
Flash Point 265.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-(4-Formylphenyl)-2,2':6',2''-terpyridine;4-(2,2':6',2''-Terpyridin-4'-yl)benzaldehyde;
PSA 55.74000
LogP 4.68510

Benzaldehyde,4-[2,2':6',2''-terpyridin]-4'-yl- Specification

The Benzaldehyde,4-[2,2':6',2''-terpyridin]-4'-yl-, with the CAS registry number 138253-30-2, is also known as 4'-(4-Formylphenyl)-2,2':6',2''-terpyridine. This chemical's molecular formula is C₂₂H₁₅N₃O and molecular weight is 337.37. What's more, its systematic name is 4-(2,2':6',2''-Terpyridin-4'-yl)benzaldehyde.

Physical properties about Benzaldehyde,4-[2,2':6',2''-terpyridin]-4'-yl- are: (1) ACD/LogP: 4.42; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.38; (4) ACD/LogD (pH 7.4): 4.42; (5) #H bond acceptors: 4; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 4; (8) Polar Surface Area: 55.74 Å²; (9) Index of Refraction: 1.651; (10) Molar Refractivity: 101.05 cm³; (11) Molar Volume: 276.6 cm³; (12) Polarizability: 40.06×10^-24cm³; (13) Surface Tension: 55.4 dyne/cm; (14) Density: 1.219 g/cm³; (15) Flash Point: 265.9 °C; (16) Enthalpy of Vaporization: 80.02 kJ/mol; (17) Boiling Point: 525.9 °C at 760 mmHg; (18) Vapour Pressure: 3.74E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)c4ccc(cc4)C=O
(2) InChI: InChI=1/C22H15N3O/c26-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-23-19)25-22(14-18)20-6-2-4-12-24-20/h1-15H
(3) InChIKey: MUJWYIMVYGQRAQ-UHFFFAOYAC

Product Name

4-(2,2':6',2''-TERPYRIDIN-4'-YL)BENZALDEHYDE

Benzaldehyde,4-[2,2':6',2''-terpyridin]-4'-yl- Specification

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