3285-98-1

Basic information

• Product Name: 1,2-Dimethyl-9,10-anthraquinone
• Synonyms: 1,2-Dimethyl-9,10-anthraquinone
• CAS NO: 3285-98-1
• Molecular Formula: C16H12O2
• Molecular Weight: 236.2653
• Mol File: 3285-98-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 421°Cat760mmHg
• Flash Point: 157.4°C
• Appearance: /
• Density: 1.233g/cm³
• Vapor Pressure: 2.69E-07mmHg at 25°C
• Refractive Index: 1.631
• CAS DataBase Reference: 1,2-Dimethyl-9,10-anthraquinone(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Dimethyl-9,10-anthraquinone(3285-98-1)
• EPA Substance Registry System: 1,2-Dimethyl-9,10-anthraquinone(3285-98-1)

Safety Data

• Hazardous Substances Data: 3285-98-1(Hazardous Substances Data)

Usage

Class of compounds

Anthraquinone

Application

Redox mediator in lithium-ion battery production

Potential use

Photodynamic therapy for cancer treatment

Physical state

Yellow crystalline solid

Melting point

183-185°C

Solubility

Sparingly soluble in water, soluble in organic solvents

Additional properties

Exhibits antioxidant and antibacterial properties

Additional use

pH indicator in analytical chemistry

Safety precautions

Harmful if ingested or inhaled, may cause skin and eye irritation upon contact

InChI:InChI=1/C16H12O2/c1-9-7-8-13-14(10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3

Upstream product

• 2159-42-4 2-(3,4-dimethylbenzoyl)benzoic acid 
• 76972-25-3 2-(2,3-dimethyl-benzoyl)-benzoic acid 
• 873377-62-9 1,2-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione 
• 7664-93-9 sulfuric acid 
• 64-17-5 ethanol 
• 2787-43-1 (3E)-3-methylpenta-1,3-diene 
• 130-15-4 [1,4]naphthoquinone 

Downstream Products

• 53666-94-7 1,2-dimethyl-anthracene 
• 245326-52-7 2-bromomethyl-1-methylanthracene 

Relevant articles and documents

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Rotational isomerization of (E)-(2-anthryl)ethenes. A consideration: Why are the s-cis rotamers more stable than the s-trans rotamers in the excited state and less stable in the ground state?

Rotational isomerism between s-cis and s-trans rotamers of (E)-1-(2- anthryl)-2-phenylethene (E-2APE) and (E)1-(2-anthryl)-3(3-dimethyl-1-butene (E-2ADB) were investigated by comparing the absorption, emission and transient absorption spectra with those of the model compounds. The s-trans isomer is more stable than the s-cis rotamer in the ground state; however, the s-cis isomer is more stable than the s-trans rotamer in the excited state (the lowest singlet and triplet excited state). In the triplet excited state, s-trans→s-cis one-way rotational isomerization is observed with activation energies of 30 and 18 kJ mol-1 for E-2APE and E-2ADB, respectively. Explanations of why the s-cis rotamer is more stable than the s-trans rotamer in the excited state and less stable in the ground state are proposed using the HOMO and LUMO coefficients estimated by a MOPAC93 (PM3) calculation.