NAVIGATION


2-Methylanthraquinone

Catalog Number
ACM84548-1
CAS Number
84-54-8
Product Name
2-Methylanthraquinone
Structure
Category
Small Molecule Semiconductor Building Blocks
Synonyms
9,10-Anthracenedione, 2-Methyl-
IUPAC Name
2-methylanthracene-9,10-dione
Molecular Weight
222.24
Molecular Formula
C15H10O2
Canonical SMILES
CC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O
InChI
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
InChI Key
NJWGQARXZDRHCD-UHFFFAOYSA-N
Boiling Point
407.8±35.0 °C at 760 mmHg
Melting Point
170-173 °C(lit.)
Flash Point
152.7±22.9 °C
Purity
95%
Density
1.3±0.1 g/cm3
Appearance
Powder
Application
2-Methylanthraquinone is a versatile compound primarily used as an intermediate in the pharmaceutical industry. It appears as a yellow to green-yellow fine powder and plays a key role in the production of certain smog dyes. Additionally, it is utilized in the synthesis of potential bioreducible anthraquinone derivatives. Structurally, it is a derivative of 9,10-anthraquinone, with a methyl group replacing a hydrogen at the second position. This compound is synthesized through the reaction of phthalic anhydride with toluene and can undergo further chemical transformations, such as chlorination, nitration, reduction, and oxidation, to produce various derivatives like 1-chloro-2-methylanthraquinone, 1-nitro-2-methylanthraquinone, and anthraquinone-2-carboxylic acid, thus expanding its utility in diverse chemical applications.
Complexity
347
Covalently-Bonded Unit Count
1
EC Number
201-539-6
Exact Mass
222.06808g/mol
Formal Charge
0
Heavy Atom Count
17
MeSH Entry Terms
2-methylanthraquinone
Monoisotopic Mass
222.06808g/mol
NSC Number
607
Refractive Index
1.644
Rotatable Bond Count
0
UNII
Q9P233HWAJ
XLogP3
3.9
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