Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)- supplier

Name
4-(2-METHYL-IMIDAZOL-1-YL)-BENZALDEHYDE
EINECS
CAS No. 88427-96-7
Article Data2
CAS DataBase
Density 1.13g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀N₂O
Boiling Point 374.9 °C at 760 mmHg
Molecular Weight 186.213
Flash Point 180.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms p-(2-Methyl-1-imidazolyl)benzaldehyde;
PSA 34.89000
LogP 1.99320

Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)- Specification

The Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)-, with CAS registry number 88427-96-7, has the systematic name of 4-(2-methyl-1H-imidazol-1-yl)benzaldehyde. Besides this, it is also called p-(2-Methyl-1-imidazolyl)benzaldehyde. And the chemical formula of this chemical is C₁₁H₁₀N₂O.

Physical properties of Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 2.09; (6)ACD/BCF (pH 7.4): 10.13; (7)ACD/KOC (pH 5.5): 37.13; (8)ACD/KOC (pH 7.4): 179.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.81 cm³; (15)Molar Volume: 164.5 cm³; (16)Polarizability: 22.12×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 374.9 °C at 760 mmHg; (22)Vapour Pressure: 8.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(n1ccnc1C)cc2
(2)InChI: InChI=1/C11H10N2O/c1-9-12-6-7-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
(3)InChIKey: DKYJGBSRSBDUAL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H10N2O/c1-9-12-6-7-13(9)11-4-2-10(8-14)3-5-11/h2-8H,1H3
(5)Std. InChIKey: DKYJGBSRSBDUAL-UHFFFAOYSA-N

Product Name

4-(2-METHYL-IMIDAZOL-1-YL)-BENZALDEHYDE

Benzaldehyde,4-(2-methyl-1H-imidazol-1-yl)- Specification

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