Benzaldehyde,3-(1H-imidazol-1-yl)- supplier

Name
[1,1',3',1",3",1"'-Quaterphenyl]-3,3'''-dicarbonaldehyde
EINECS
CAS No. 127404-22-2
Article Data5
CAS DataBase
Density 1.15g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O
Boiling Point 356.9 °C at 760 mmHg
Molecular Weight 172.186
Flash Point 169.7 °C
Transport Information
Appearance Light yellow powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(1-Imidazolyl)benzaldehyde;3-(1H-Imidazol-1-yl)benzaldehyde;
PSA 34.89000
LogP 1.68480

Benzaldehyde,3-(1H-imidazol-1-yl)- Specification

The Benzaldehyde,3-(1H-imidazol-1-yl)-, with CAS registry number 127404-22-2, has the systematic name of 3-imidazol-1-ylbenzaldehyde. Besides this, it is also called [1,1',3',1",3",1"'-Quaterphenyl]-3,3'''-dicarbonaldehyde. And the chemical formula of this chemical is C₁₀H₈N₂O.

Physical properties of Benzaldehyde,3-(1H-imidazol-1-yl)-: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.4; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 34.89 Å²; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 51.39 cm³; (11)Molar Volume: 149.2 cm³; (12)Polarizability: 20.37×10^-24cm³; (13)Surface Tension: 46.7 dyne/cm; (14)Density: 1.15 g/cm³; (15)Flash Point: 169.7 °C; (16)Enthalpy of Vaporization: 60.23 kJ/mol; (17)Boiling Point: 356.9 °C at 760 mmHg; (18)Vapour Pressure: 2.82E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)n2ccnc2)C=O
(2)InChI: InChI=1/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
(3)InChIKey: CGTQCZGDVDTRDI-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
(5)Std. InChIKey: CGTQCZGDVDTRDI-UHFFFAOYSA-N

Product Name

[1,1',3',1",3",1"'-Quaterphenyl]-3,3'''-dicarbonaldehyde

Benzaldehyde,3-(1H-imidazol-1-yl)- Specification

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