CAS No.4055-69-0,2,3-DIHYDROXY-4-METHOXYBENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4055-69-0
Name:	2,3-DIHYDROXY-4-METHOXYBENZALDEHYDE
Article Data:	23

Formula:	C₈H₈O₄
Molecular Weight:	168.149
Synonyms:	o-Pyrocatechualdehyde,4-methoxy- (7CI,8CI);2,3-Dihydroxy-4-methoxybenzaldehyde;
Density:	1.378 g/cm³
Melting Point:	69.5 °C
Boiling Point:	299.047 °C at 760 mmHg
Flash Point:	123.631 °C
Hazard Symbols:	Xi
Risk Codes:	36-43
Safety:	26-36/37
PSA:	66.76000
LogP:	0.91890

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Specification

The CAS register number of Benzaldehyde,2,3-dihydroxy-4-methoxy- is 4055-69-0. It also can be called as 2,3-Dihydroxy-4-methoxybenzolcarbaldehyd and the IUPAC name about this chemical is 2,3-dihydroxy-4-methoxybenzaldehyde. The molecular formula about this chemical is C₈H₈O₄ and the molecular weight is 168.15. It belongs to the Aromatic Aldehydes & Derivatives (substituted).

Physical properties about Benzaldehyde,2,3-dihydroxy-4-methoxy- are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 123; (7)ACD/KOC (pH 7.4): 77; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.76Å²; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 43.447 cm³; (14)Molar Volume: 121.961 cm³; (15)Polarizability: 17.224x10^-24cm³; (16)Surface Tension: 59.71 dyne/cm; (17)Flash Point: 123.631 °C; (18)Enthalpy of Vaporization: 56.057 kJ/mol; (19)Boiling Point: 299.047 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-3-hydroxy-4-methoxy-benzaldehyde at heating. This reaction will need reagent CuSO₄*5 H₂O, 4N aq. NaOH. The reaction time is 5 hour(s). The yield is about 85%.

Uses of Benzaldehyde,2,3-dihydroxy-4-methoxy-: it can be used to produce 4-methoxy-2,3-methylenedioxy-benzaldehyde with dibromomethane at heating. This reaction will need reagent anh. K₂CO₃, copper oxide and solvent dimethylformamide with reaction time of 7 hours. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(O)c(O)c(OC)cc1
(2)InChI: InChI=1/C8H8O4/c1-12-6-3-2-5(4-9)7(10)8(6)11/h2-4,10-11H,1H3
(3)InChIKey: OJZYLUUHIAKDJT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8O4/c1-12-6-3-2-5(4-9)7(10)8(6)11/h2-4,10-11H,1H3
(5)Std. InChIKey: OJZYLUUHIAKDJT-UHFFFAOYSA-N