ChemicalBook--->CAS DataBase List--->84-54-8

84-54-8

84-54-8 Structure

84-54-8 Structure
IdentificationMore
[Name]

2-Methyl anthraquinone
[CAS]

84-54-8
[Synonyms]

2-Methyl-9,10-anthracenedione
2-METHYLANTHRAQUINONE
2-METHYL AQ
LABOTEST-BB LT00159669
Methylanthraquinone
METHYLANTHRAQUINONE, 2-
TECTOQUINONE
2-methyl-10-anthracenedione
2-methyl-9,10(9H,10H)-anthracenedione
2-Methylanthra-9,10-quinone
2-Methylanthracenedione
2-Methylanthrapuinone
9,10-Anthracenedione,2-methyl-
9,10-Antracenedione, 2-methyl-
Anthraquinone, 2-methyl-
anthraquinone,2-methyl-
beta-Methylanthraquinone
-Methylanthranpuinone
Techtoquinone
Tectochinon
[EINECS(EC#)]

201-539-6
[Molecular Formula]

C15H10O2
[MDL Number]

MFCD00001235
[Molecular Weight]

222.24
[MOL File]

84-54-8.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW TO GREEN-YELLOW FINE POWDER
[Melting point ]

170-173 °C (lit.)
[Boiling point ]

236-238 °C/10 mmHg (lit.)
[density ]

1.1404 (rough estimate)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.6600 (estimate)
[Fp ]

209 °C
[storage temp. ]

2-8°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

powder to crystal
[color ]

Light orange to Yellow to Green
[Water Solubility ]

Soluble in water 1.234 mg/L @ 25°C.
[Merck ]

14,6021
[BRN ]

2050523
[Henry's Law Constant]

2.4×102 mol/(m3Pa) at 25℃, Parnis et al. (2015)
[InChI]

1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
[InChIKey]

NJWGQARXZDRHCD-UHFFFAOYSA-N
[SMILES]

Cc1ccc2C(=O)c3ccccc3C(=O)c2c1
[LogP]

3.4 at 25℃
[Uses]

Organic synthesis.
[CAS DataBase Reference]

84-54-8(CAS DataBase Reference)
[NIST Chemistry Reference]

9,10-Anthracenedione, 2-methyl-(84-54-8)
[EPA Substance Registry System]

84-54-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,N
[Risk Statements ]

R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29146990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aluminum chloride-->FUMING SULFURIC ACID-->Phthalic anhydride-->2-(4-Methylbenzoyl)benzoic acid
[Preparation Products]

Emodin-->Vat Orange 9-->SOLWAY BLUE RN-->ANTHRAQUINONE-2-CARBOXYLIC ACID-->1-AMINO-2-METHYLANTHRAQUINONE-->1-AMINO-2-METHYLANTHRAQUINONE-->Vat Orange 21-->Vat Yellow 18-->Alizarin-->2,2'-(6,6'-Bibenzothiazole-2,2'-diyl)bis(9,10-anthraquinone)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methylanthraquinone(84-54-8).msds
Hazard InformationBack Directory
[Chemical Properties]

YELLOW TO GREEN-YELLOW FINE POWDER
[Definition]

ChEBI: An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group.
[Reactions]

The compound is produced by the reaction of phthalic anhydride and toluene. It can be chlorinated to give 1-chloro-2-methylanthraquinone. Nitration gives 1-nitro-2-methylanthraquinone, which can be reduced to 1-amino-2-methyl derivative. Oxidation of the methyl group gives anthraquinone-2-carboxylic acid.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 44, p. 2881, 1966 DOI: 10.1139/v66-428
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 1, p. 353, 1941
Tetrahedron Letters, 24, p. 5499, 1983 DOI: 10.1016/S0040-4039(00)94122-4
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Crystallise the quinone from EtOH, then sublime it. It has max at 257, 275 and 330nm (EtOH). [Hersbery & Fieser J Am Chem Soc 63 2562 1941, Beilstein 7 H 809, 7 III 4104, 7 IV 2574.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methyl anthraquinone(84-54-8)MS
2-Methyl anthraquinone(84-54-8)1HNMR
2-Methyl anthraquinone(84-54-8)13CNMR
2-Methyl anthraquinone(84-54-8)IR1
2-Methyl anthraquinone(84-54-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylanthraquinone, 94%(84-54-8)
[Alfa Aesar]

2-Methylanthraquinone, 97%(84-54-8)
[Sigma Aldrich]

84-54-8(sigmaaldrich)
[TCI AMERICA]

2-Methylanthraquinone,>99.0%(GC)(84-54-8)
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