3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde supplier

Name
3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde
EINECS
CAS No. 870837-18-6
Article Data18
CAS DataBase
Density 1.161 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₂
Boiling Point 415.094 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 204.842 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methoxy-4-(4-methylimidazol-1-yl)benzaldehyde;
PSA 44.12000
LogP 2.00180

3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde Specification

The IUPAC name of 3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde is 3-Methoxy-4-(4-methylimidazol-1-yl)benzaldehyde. With the CAS registry number 870837-18-6, it is also named as Benzaldehyde,3-methoxy-4-(4-methyl-1H-imidazol-1-yl)-. In addition, its molecular formula is C₁₂H₁₂N₂O₂ and its molecular weight is 216.24.

The other characteristics of 3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde can be summarized as: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.474; (4)ACD/LogD (pH 7.4): 1.735; (5)ACD/BCF (pH 5.5): 6.7; (6)ACD/BCF (pH 7.4): 12.234; (7)ACD/KOC (pH 5.5): 114.095; (8)ACD/KOC (pH 7.4): 208.348; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 61.63 cm³; (15)Molar Volume: 186.313 cm³; (16)Polarizability: 24.432×10^-24cm³; (17)Surface Tension: 41.106 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 204.842 °C; (20)Enthalpy of Vaporization: 66.813 kJ/mol; (21)Boiling Point: 415.094 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cn(cn1)c2ccc(cc2OC)C=O
(2)InChI:InChI=1/C12H12N2O2/c1-9-6-14(8-13-9)11-4-3-10(7-15)5-12(11)16-2/h3-8H,1-2H3
(3)InChIKey:ZPKLQDKQGVSJST-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C12H12N2O2/c1-9-6-14(8-13-9)11-4-3-10(7-15)5-12(11)16-2/h3-8H,1-2H3
(5)Std. InChIKey:ZPKLQDKQGVSJST-UHFFFAOYSA-N

Product Name

3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde Specification

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