7-Methylbenz[a]anthracene

• Catalog Number: ACM2541697
• Product Name: 7-Methylbenz[a]anthracene
• CAS: 2541-69-7
• Category: Heterocyclic Organic Compound
• Synonyms: 10-Methyl-1,2-benzanthracen;10-Methyl-1,2-benzanthracene;3,4-benz-9-methylanthracene;7-MBA;7-methyl-benz(a)anthracen;7-methylbenzanthracene;7-Methylbenzo[a]anthracene;7-METHYLBENZ[A]ANTHRACENE
• IUPAC Name: 7-methylbenzo[a]anthracene
• Molecular Weight: 242.3g/mol
• Molecular Formula: C19H14
• Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14
• InChI: InChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3
• InChI Key: DIIFUCUPDHMNIV-UHFFFAOYSA-N
• Melting Point: 141.0 °C;141 °C
• Solubility: 4.54e-08 M;In water, 1.1X10-2 mg/L at 24 °C;Insoluble in water;Soluble in ethanol, ethyl ether, acetone, carbon tetrachloride, carbon disulfide, xylene
• Color/Form: Yellow plates from alcohol
• Complexity: 320
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 219-819-1
• Exact Mass: 242.10955g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 19
• LogP: log Kow = 6.07 (est)
• Monoisotopic Mass: 242.10955g/mol
• NSC Number: 30974
• Other Experimental: Henry's Law constant = 1.90X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.31X10-10 cu cm/molec-sec at 25 °C (est)
• Rotatable Bond Count: 0
• Stability: Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for 7-Methylbenz
• UNII: F0662CQU1Q
• Vapor Pressure: 3.06X10-7 mm Hg at 25 °C (est)
• XLogP3: 6.3