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779-02-2

779-02-2 Structure

779-02-2 Structure
IdentificationMore
[Name]

9-METHYLANTHRACENE
[CAS]

779-02-2
[Synonyms]

9-METHYLANTHRACENE
RARECHEM AQ BD 0AN1
9-methyl-anthracen
anthracene,9-methyl-
Methylantracene
9-METHYLANTHRACENE OEKANAL, 250 MG
9-Methylanthracene,99%
[EINECS(EC#)]

212-299-7
[Molecular Formula]

C15H12
[MDL Number]

MFCD00001261
[Molecular Weight]

192.26
[MOL File]

779-02-2.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to gold crystalline solid
[Melting point ]

77-79 °C (lit.)
[Boiling point ]

196-197 °C/12 mmHg (lit.)
[density ]

1.066 g/mL at 25 °C(lit.)
[refractive index ]

1.6959
[Fp ]

196-197°C/12mm
[storage temp. ]

Store below +30°C.
[solubility ]

0.0003mg/l
[form ]

Crystals or Crystalline Powder
[color ]

Yellow to orange
[Specific Gravity]

1.066
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
[BRN ]

1907463
[Major Application]

environmental
[InChI]

1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3
[InChIKey]

CPGPAVAKSZHMBP-UHFFFAOYSA-N
[SMILES]

Cc1c2ccccc2cc3ccccc13
[CAS DataBase Reference]

779-02-2(CAS DataBase Reference)
[EPA Substance Registry System]

9-Methylanthracene (779-02-2)
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

CB0700000
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29029000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
[Safety Profile]

Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard InformationBack Directory
[Description]

9-Methylanthracene is a reagent used to synthesize citalopram and to study the metabolism of Cunninghamella elegans and rat-liver microsomal.

[Chemical Properties]

yellow to gold crystalline solid
[Uses]

9-Methylanthracene used as a Intermediates for pharmaceutical and chemical research.
[Synthesis Reference(s)]

Tetrahedron Letters, 5, p. 867, 1964 DOI: 10.1002/lipi.19640660210
[Purification Methods]

Chromatograph it on silica gel with cyclohexane as eluent and recrystallise it from EtOH [Werst J Am Chem Soc 109 32 1987]. [Beilstein 5 IV 2312.]
Spectrum DetailBack Directory
[Spectrum Detail]

9-METHYLANTHRACENE(779-02-2)MS
9-METHYLANTHRACENE(779-02-2)1HNMR
9-METHYLANTHRACENE(779-02-2)13CNMR
9-METHYLANTHRACENE(779-02-2)IR1
9-METHYLANTHRACENE(779-02-2)IR2
9-METHYLANTHRACENE(779-02-2)IR3
9-METHYLANTHRACENE(779-02-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

9-Methylanthracene, 99%(779-02-2)
[Alfa Aesar]

9-Methylanthracene, 99%(779-02-2)
[Sigma Aldrich]

779-02-2(sigmaaldrich)
[TCI AMERICA]

9-Methylanthracene,>98.0%(GC)(779-02-2)
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