Name: 9,10-Anthracenedicarboxaldehyde
SKU: 7044-91-9

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Basic Information

Molecular Structure:
CAS No.:	7044-91-9
Name:	9,10-Anthracenedicarboxaldehyde
Article Data:	25

Formula:	C₁₆H₁₀O₂
Molecular Weight:	234.254
Synonyms:	9,10-Anthracenedialdehyde;9,10-Anthracenedicarbaldehyde;9,10-Diformylanthracene;NSC 529667;anthracene-9,10-dicarbaldehyde;
EINECS:	230-322-9
Density:	1.294 g/cm³
Melting Point:	244-245
Boiling Point:	471.2 °C at 760 mmHg
Flash Point:	175.1 °C
Appearance:	orange to brown crystalline powder
PSA:	34.14000
LogP:	3.61800

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Specification

The 9,10-Anthracenedicarboxaldehyde, with the CAS registry number 7044-91-9 and EINECS registry number 230-322-9, has the systematic name and IUPAC name of anthracene-9,10-dicarbaldehyde. It is a kind of orange to brown crystalline powder, and belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted). And the molecular formula of the chemical is C₁₆H₁₀O₂.

The characteristics of 9,10-Anthracenedicarboxaldehyde are as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 280.22; (6)ACD/BCF (pH 7.4): 280.22; (7)ACD/KOC (pH 5.5): 1965.76; (8)ACD/KOC (pH 7.4): 1965.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.773; (14)Molar Refractivity: 75.44 cm³; (15)Molar Volume: 180.9 cm³; (16)Polarizability: 29.9×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.294 g/cm³; (19)Flash Point: 175.1 °C; (20)Enthalpy of Vaporization: 73.39 kJ/mol; (21)Boiling Point: 471.2 °C at 760 mmHg; (22)Vapour Pressure: 4.74E-09 mmHg at 25°C.

Uses of 9,10-Anthracenedicarboxaldehyde: It can react with benzyl-triphenyl-phosphonium; chloride to produce 9,10-di-trans-styryl-anthracene. This reaction will need reagent MeOLi, and the menstruum dimethylformamide. The reaction time is 3.5 hours, and the yield is about 71%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2c1c(cccc1)c(c3c2cccc3)C=O
(2)InChI: InChI=1/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H
(3)InChIKey: SBRUFOSORMQHES-UHFFFAOYAM