4851-50-7

Basic information

• Product Name: 1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxyanthraquinone
• Synonyms: 1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxyanthraquinone;9,10-Anthracenedione, 1,4-bis4-(1,1-dimethylethyl)phenylamino-5,8-dihydroxy-;1,4-Bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxy-9,10-anthracenedione;1,4-Dihydroxy-5,8-bis((p-tert-butylphenyl)amino)anthraquinone;Einecs 225-443-9;OISDPVHKIUOZDL-UHFFFAOYSA-N
• CAS NO: 4851-50-7
• Molecular Formula: C₃₄H₃₄N₂O₄
• Molecular Weight: 534.64476
• EINECS: 225-443-9
• Product Categories: Organics
• Mol File: 4851-50-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 695.7 °C at 760 mmHg
• Flash Point: 374.6 °C
• Appearance: /
• Density: 1.268 g/cm³
• Vapor Pressure: 5.32E-20mmHg at 25°C
• Refractive Index: 1.672
• PKA: 6.7[at 20 ℃]
• Water Solubility: 1.2μg/L at 20℃
• CAS DataBase Reference: 1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxyanthraquinone(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxyanthraquinone(4851-50-7)
• EPA Substance Registry System: 1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxyanthraquinone(4851-50-7)

Safety Data

• Hazardous Substances Data: 4851-50-7(Hazardous Substances Data)

Usage

Flammability and Explosibility

Notclassified

InChI:InChI=1/C34H34N2O4/c1-33(2,3)19-7-11-21(12-8-19)35-23-15-16-24(36-22-13-9-20(10-14-22)34(4,5)6)28-27(23)31(39)29-25(37)17-18-26(38)30(29)32(28)40/h7-18,35-38H,1-6H3

Upstream product

• 2832-30-6 1,4-dihydroxy-5,8-dichloro-9,10-anthraquinone 
• 769-92-6 4-tert-Butylaniline 

Relevant articles and documents

The molecular structures and properties of anthraquinone-type dichroic dyes

Relations between the molecular structures and properties of anthraquinone-type dichroic 4 dyes were studied. Newly developed asymmetric dyes with thiophenyl groups are highly soluble in fluorinated liquid crystals and the dichroic ratios of these dyes are high (about 10). However, ortho-position (thiophenyl)-substituted dyes have lower solubilities and dichroic ratios than other position-substituted dyes. The properties of anthraquinone dyes with anilino groups are much lower than those of dyes with thiophenyl groups. These results can be strongly related to the flexibility of substituents. We newly established a hypothesis concerning dyes in liquid crystal solvent. In liquid crystals, the dye has a suitable conformation to adjust to liquid crystal phase. In this conformation, the solubilities and dichroic ratios are increased because the interactions between the dye molecules and liquid crystal molecules are strengthened. Flexible substituents are considered to easily form a suitable conformation and realize excellent properties.