2-Cyano-4-methoxybenzaldehyde supplier

Name
2-CYANO-4-METHOXYBENZALDEHYDE
EINECS
CAS No. 21962-47-0
Density 1.186 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₂
Boiling Point 329.906 °C at 760 mmHg
Molecular Weight 161.16
Flash Point 143.695 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalaldehydonitrile,5-methoxy- (8CI);m-Anisonitrile, 6-formyl-;
PSA 50.09000
LogP 1.37938

2-Cyano-4-methoxybenzaldehyde Specification

The Benzonitrile,2-formyl-5-methoxy-, with CAS registry number 21962-47-0, has the systematic name of 2-formyl-5-methoxy-benzonitrile. Besides this, it is also called 2-Cyano-4-methoxybenzaldehyde. And the chemical formula of this chemical is C₉H₇NO₂.

Physical properties of Benzonitrile,2-formyl-5-methoxy-: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.367; (4)ACD/LogD (pH 7.4): 1.367; (5)ACD/BCF (pH 5.5): 6.442; (6)ACD/BCF (pH 7.4): 6.442; (7)ACD/KOC (pH 5.5): 132.038; (8)ACD/KOC (pH 7.4): 132.038; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 42.654 cm³; (15)Molar Volume: 135.924 cm³; (16)Polarizability: 16.909×10^-24cm³; (17)Surface Tension: 48.564 dyne/cm; (18)Density: 1.186 g/cm³; (19)Flash Point: 143.695 °C; (20)Enthalpy of Vaporization: 57.243 kJ/mol; (21)Boiling Point: 329.906 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)C#N)C=O
(2)InChI: InChI=1/C9H7NO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,1H3
(3)InChIKey: KEDMRUNNPUDXOQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H7NO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,1H3
(5)Std. InChIKey: KEDMRUNNPUDXOQ-UHFFFAOYSA-N

Product Name

2-CYANO-4-METHOXYBENZALDEHYDE

2-Cyano-4-methoxybenzaldehyde Specification

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