2-(Chloromethyl)-3-methyl-1,4-naphthalenedione

Base Information

• Chemical Name: 2-(Chloromethyl)-3-methyl-1,4-naphthalenedione
• CAS No.: 31599-79-8
• Molecular Formula: C12H9 Cl O2
• Molecular Weight: 220.655
• DSSTox Substance ID: DTXSID80953560
• Nikkaji Number: J1.369.173H
• Wikidata: Q82932444
• Mol file: 31599-79-8.mol

Synonyms:2-(chloromethyl)-3-methylnaphthalene-1,4-dione;2-(Chloromethyl)-3-methyl-1,4-naphthalenedione;31599-79-8;1,4-Naphthalenedione, 2-(chloromethyl)-3-methyl-;2-Chloromethyl,3-methyl naphthoquinone;SCHEMBL707464;DTXSID80953560;PYQUHGSCPCDFBQ-UHFFFAOYSA-N;2-(chloromethyl)-3-methyl-1,4-dihydronaphthalene-1,4-dione;BDBM178087;AKOS003618137;2-chloromethyl-3-methyl-1,4-naphthoquinone;2-methyl-3-chloromethyl-1,4-napthoquinone;EN300-9473579;Z277558208;2-(chloromethyl)-3-methyl-1,4-dihydronaphthalene-1,4-dione (5f)

Chemical Property of 2-(Chloromethyl)-3-methyl-1,4-naphthalenedione

Chemical Property:

• Vapor Pressure: 6.01E-05mmHg at 25°C
• Melting Point: 107-108 °C(Solv: ethanol (64-17-5))
• Boiling Point: 345.8°Cat760mmHg
• Flash Point: 146°C
• PSA: 34.14000
• Density: 1.29g/cm³
• LogP: 2.62090
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 220.0291072
• Heavy Atom Count: 15
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CCl