9,10-二甲基蒽

Description

9,10-Dimethylanthracene · CAS 781-43-1 · C16H14. UNII DI986077VR. Boiling Point: 360 °C; Boiling Point: BP: 140-142 °C at 0.5-1 mm Hg; Melting Point: 182.4 °C.

Identification

CAS Registry Number	781-43-1
PubChem CID	13076
Molecular formula	C16H14
IUPAC name	9,10-dimethylanthracene
UNII (FDA)	DI986077VR

Computed Descriptors

Molecular Weight	206.28
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	206.109550447
Monoisotopic Mass	206.109550447
Topological Polar Surface Area	0
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	360 °C
Boiling Point	BP: 140-142 °C at 0.5-1 mm Hg
Melting Point	182.4 °C
Solubility	In water, 5.60X10-2 mg/L at 25 °C
Vapor Pressure	0.00000247 [mmHg]
LogP	log Kow = 5.69
LogP	5.25

Physical description & handling notes

• Powder; [Alfa Aesar MSDS]
• Crystals from ethanol
• Insoluble in water
• Stable under recommended storage conditions.
• When heated to decomposition it emits acrid smoke and irritating fumes.
• Questionable carcinogen with experimental carcinogenic and tumorigenic data

GHS Hazard Classification

Reported hazard statements	H312 (83%), H317 (83%), H332 (83%), H334 (83%), H351 (10.6%)

Documented Uses

• Not commercially produced in the US; [HSDB]
• Laboratory chemicals, manufacture of substances.
• (1977) NOT PRODUCED COMMERCIALLY IN USA
• (1979) NOT PRODUCED COMMERCIALLY IN USA
• In-vitro stereoselective metabolism of methylated anthracenes by rat liver microsomes, and the configurations and optical purity of the trans-dihydrodiol metabolites were investigated. Liver microsomes from untreated immature male Sprague-Dawley-rats and from rats pretreated with either 3-methylcholanthrene (3-MC) or phenobarbital (PB) were incubated with 9-methylanthracene (779022) (9-MA), 9-hydroxymethylanthracene (9-OHMA), or 9,10-dimethylanthracene (781431) (9,10-DMA) for 60 minutes. Metabolites were separated
• The metabolism of the weakly-carcinogenic hydrocarbon, 9,10-dimethylanthracene (DMA) by rat-liver microsomal preparations has been examined. 9-Hydroxymethyl-10-methylanthracene (9-OHMeMA) and 9,10-dihydroxymethyl-anthracene (9,10-DiOHMeA) were identified as metabolites by comparing their chromatographic and spectral properties with those of the authentic compounds. The trans-1,2-dihydro-1,2-dihydroxy derivative of DMA (DMA 1,2-diol) was the major metabolite formed which was identified by its chromatographic, u.v.,

Synonyms

9,10-DIMETHYLANTHRACENE; 781-43-1; DTXSID8073928; DI986077VR; NSC-4220; RefChem:107513; DTXCID2048113; 212-308-4; Anthracene, 9,10-dimethyl-; 9,10-dimethyl-anthracene; MFCD00001262; CCRIS 2742; HSDB 4324; NSC 4220; EINECS 212-308-4; UNII-DI986077VR

Frequently Asked Questions

What are the CAS number and molecular formula of 9,10-Dimethylanthracene?

CAS 781-43-1; molecular formula C16H14; molecular weight — g/mol.

What other names is 9,10-Dimethylanthracene known by?

9,10-DIMETHYLANTHRACENE, 781-43-1, DTXSID8073928, DI986077VR, NSC-4220, RefChem:107513.

Is 9,10-Dimethylanthracene classified as hazardous?

Hazard statements reported: H312, H317, H332, H334, H351.

What are the key physical properties of 9,10-Dimethylanthracene?

Boiling Point: 360 °C; Boiling Point: BP: 140-142 °C at 0.5-1 mm Hg; Melting Point: 182.4 °C; Solubility: In water, 5.60X10-2 mg/L at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.