1,4-Benzenedicarboxaldehyde,2,5-dimethoxy- supplier

Name
2,5-DIMETHOXYTEREPHTHALALDEHYDE
EINECS
CAS No. 7310-97-6
Article Data44
CAS DataBase
Density 1.207 g/cm³
Solubility
Melting Point 220℃
Formula C₁₀H₁₀O₄
Boiling Point 371.4 °C at 760 mmHg
Molecular Weight 194.187
Flash Point 168.2 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Terephthalaldehyde, 2,5-dimethoxy- (7CI,8CI);2,5-Dimethoxy-1,4-benzenedicarboxaldehyde;2,5-Dimethoxyterephthalaldehyde;2,5-dimethoxybenzene-1,4-dicarbaldehyde;1,4-benzenedicarboxaldehyde, 2,5-dimethoxy-;2,5-dimethoxyterephthalaldehyde;
PSA 52.60000
LogP 1.32880

1,4-Benzenedicarboxaldehyde,2,5-dimethoxy- Specification

The 1,4-Benzenedicarboxaldehyde,2,5-dimethoxy-, with the CAS registry number 7310-97-6, has the systematic name of 2,5-dimethoxybenzene-1,4-dicarbaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted). And the molecular formula of the chemical is C₁₀H₁₀O₄.

The characteristics of 1,4-Benzenedicarboxaldehyde,2,5-dimethoxy- are as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.61; (6)ACD/BCF (pH 7.4): 15.61; (7)ACD/KOC (pH 5.5): 248.79; (8)ACD/KOC (pH 7.4): 248.79; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 53.11 cm³; (15)Molar Volume: 160.7 cm³; (16)Polarizability: 21.05×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 168.2 °C; (20)Enthalpy of Vaporization: 61.84 kJ/mol; (21)Boiling Point: 371.4 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-05 mmHg at 25°C.

Uses of 1,4-Benzenedicarboxaldehyde,2,5-dimethoxy-: It can react with malonic acid to produce 3,3'-(2,5-dimethoxy-p-phenylene)bispropenoic acid. This reaction will need reagent piperidine, AcOH and Ac₂O, and the menstruum dimethylformamide. The reaction time is 1 hour with temperature of 90°C, and the yield is about 96%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(OC)c(C=O)cc1OC
(2)InChI: InChI=1/C10H10O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-6H,1-2H3
(3)InChIKey: YSIIHTHHMPYKFP-UHFFFAOYAA

Product Name

2,5-DIMETHOXYTEREPHTHALALDEHYDE

1,4-Benzenedicarboxaldehyde,2,5-dimethoxy- Specification

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