4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde supplier

Name
4-[5-(4-ISOBUTYL-PHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZALDEHYDE
EINECS
CAS No. 635701-88-1
Article Data8
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₈N₂O₂
Boiling Point 469.4 °C at 760 mmHg
Molecular Weight 306.364
Flash Point 237.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-{5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl}benzaldehyde;
PSA 55.99000
LogP 4.41460

4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde Specification

The 4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde, with the CAS registry number 635701-88-1, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₉H₁₈N₂O₂.

The characteristics of 4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde are as followings: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.87; (5)ACD/BCF (pH 5.5): 17053.16; (6)ACD/BCF (pH 7.4): 17053.16; (7)ACD/KOC (pH 5.5): 37214.57; (8)ACD/KOC (pH 7.4): 37214.57; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.99 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 89.44 cm³; (15)Molar Volume: 267.1 cm³; (16)Polarizability: 35.45×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 237.7 °C; (20)Enthalpy of Vaporization: 73.17 kJ/mol; (21)Boiling Point: 469.4 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)Cc1ccc(cc1)c2nc(no2)c3ccc(C=O)cc3
(2)InChI: InChI=1/C19H18N2O2/c1-13(2)11-14-3-9-17(10-4-14)19-20-18(21-23-19)16-7-5-15(12-22)6-8-16/h3-10,12-13H,11H2,1-2H3
(3)InChIKey: ZTQLGRADBLZWQL-UHFFFAOYAU

Product Name

4-[5-(4-ISOBUTYL-PHENYL)-[1,2,4]OXADIAZOL-3-YL]-BENZALDEHYDE

4-[5-[4-(2-Methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde Specification

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