ChemicalBook--->CAS DataBase List--->781-43-1

781-43-1

781-43-1 Structure

781-43-1 Structure
IdentificationMore
[Name]

9,10-DIMETHYLANTHRACENE
[CAS]

781-43-1
[Synonyms]

9,10-DIMETHYLANTHRACENE
9,10-dimethyl-anthracen
9.1O-Dimethylanthracen
Anthracene, 9,10-dimethyl-
Anthracene,9,10-dimethyl
anthracene,9,10-dimethyl-
ms-Dimethylanthracene
9,1O-dimethylanthracene
9-10-dimethylanthracene crystalline
9,10-DIMETHYLANTHRACENE OEKANAL, 100 MG
9,10-Dimethylanthracene,99%
9,10-DIMETHYL(A)ANTHRACENE
9,10-DIMETHYLANTHRACENE 98+%
[EINECS(EC#)]

212-308-4
[Molecular Formula]

C16H14
[MDL Number]

MFCD00001262
[Molecular Weight]

206.28
[MOL File]

781-43-1.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystals or crystalline powder
[Melting point ]

182-184 °C (lit.)
[Boiling point ]

375.14°C (estimate)
[density ]

1.0426 (estimate)
[refractive index ]

1.6868 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystals or Crystalline Powder
[color ]

Yellow
[Water Solubility ]

Soluble in toluene. Insoluble in water.
[BRN ]

1909028
[InChI]

InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3
[InChIKey]

JTGMTYWYUZDRBK-UHFFFAOYSA-N
[SMILES]

C1=C2C(C(C)=C3C(=C2C)C=CC=C3)=CC=C1
[CAS DataBase Reference]

781-43-1(CAS DataBase Reference)
[EPA Substance Registry System]

9,10-Dimethylanthracene (781-43-1)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21:Harmful by inhalation and in contact with skin .
R42/43:May cause sensitization by inhalation and skin contact .
[Safety Statements ]

S36/39:Wear suitable protective clothing and eye/face protection .
[WGK Germany ]

3
[RTECS ]

CA9685000
[HS Code ]

29029000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Resp. Sens. 1
Skin Sens. 1
[Hazardous Substances Data]

781-43-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Iodomethane-->Thiourea-->ZINC-->Anthraquinone-->9,10-Dihydroanthracene-->Ethanone, 1-[2-(1-phenylethyl)phenyl]--->Anthracene, 9,10-dihydro-9-methyl-10-methylene--->9,10-Anthracenediol, 9,10-dihydro-9,10-dimethyl--->9,10-Dichloroanthracene-->9,10-Bis(chloromethyl)anthracene-->Methylmagnesium Bromide-->VINYL CHLORIDE-->Benzene
[Preparation Products]

9 10-Anthracenediyl-bis(methylene)
Hazard InformationBack Directory
[Chemical Properties]

yellow crystals or crystalline powder
[Uses]

9,10-Dimethylanthracene is used as an antioxidant-photosensitizer dual-loaded polymeric micelles with controllable production of reactive oxygen species. It is also used as chemical rate constant actinometer in singlet molecular oxygen reactions.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 104, p. 5807, 1982 DOI: 10.1021/ja00385a052
The Journal of Organic Chemistry, 53, p. 2120, 1988 DOI: 10.1021/jo00244a056
[General Description]

9,10-Dimethylanthracene belongs to the class of polynuclear aromatic hydrocarbons (PAHs), which are generally used as potential starting materials for the synthesis of a variety of industrial chemicals.
[Health Hazard]

This compound caused lungs and skin tumorin mice at the site of application. Carcinogenicity in humans is unknown. It testedpositive in the histidine reversion–Amestest; the mammalian micronucleus test wasinconclusive.
[Purification Methods]

Purify 9,10-dimethylanthracene by crystallising from EtOH, and by recrystallising from the melt. [Beilstein 5 IV 2329.]
Spectrum DetailBack Directory
[Spectrum Detail]

9,10-DIMETHYLANTHRACENE(781-43-1)MS
9,10-DIMETHYLANTHRACENE(781-43-1)1HNMR
9,10-DIMETHYLANTHRACENE(781-43-1)13CNMR
9,10-DIMETHYLANTHRACENE(781-43-1)IR1
9,10-DIMETHYLANTHRACENE(781-43-1)IR2
9,10-DIMETHYLANTHRACENE(781-43-1)IR3
9,10-DIMETHYLANTHRACENE(781-43-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

9,10-Dimethylanthracene, 97%(781-43-1)
[Alfa Aesar]

9,10-Dimethylanthracene, 99%(781-43-1)
[Sigma Aldrich]

781-43-1(sigmaaldrich)
[TCI AMERICA]

9,10-Dimethylanthracene,>98.0%(GC)(781-43-1)
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