9,10-bis(bromomethyl)anthracene

• ChemBase ID: 88680
• Molecular Formular: C16H12Br2
• Molecular Mass: 364.07448
• Monoisotopic Mass: 361.93057438
• SMILES: BrCc1c2c(c(c3ccccc13)CBr)cccc2
• Canonical SMILES: BrCc1c2ccccc2c(c2c1cccc2)CBr
• InChI: InChI=1S/C16H12Br2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
• InChIKey: YHEMDXGFCREMGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-bis(bromomethyl)anthracene
• IUPAC Traditional name: 9,10-bis(bromomethyl)anthracene
• Synonyms: 9,10-Bis(bromomethyl)anthracene; 9,10-Di(bromomethyl)anthracene

Database IDs

• CAS Number: 34373-96-1
• MDL Number: MFCD00092257
• PubChem SID: 162075601
• PubChem CID: 609355

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.497674
• LogD (pH = 7.4): 5.497674
• Log P: 5.497674
• Molar Refractivity: 84.6592 cm^3
• Polarizability: 34.148926 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform (Sparingly)
• Apperance: Yellow Solid
• Melting Point: >175°C (dec.); >230(dec.)°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Storage Warning: Irritant/Hygroscopic/Store under Argon/Store at -20oC