2,6-dibromo-4-propylaniline

• ChemBase ID: 78891
• Molecular Formular: C9H11Br2N
• Molecular Mass: 292.99834
• Monoisotopic Mass: 290.92582336
• SMILES: Nc1c(cc(cc1Br)CCC)Br
• Canonical SMILES: CCCc1cc(Br)c(c(c1)Br)N
• InChI: InChI=1S/C9H11Br2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3
• InChIKey: DTMCGFMOLUVBPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-propylaniline
• IUPAC Traditional name: 2,6-dibromo-4-propylaniline
• Synonyms: 2,6-dibromo-4-propylaniline; 2,6-Dibromo-4-n-propylaniline; 2,6-二溴-4-正-丙基苯胺

Database IDs

• CAS Number: 10546-64-2
• EC Number: 000-000-0
• MDL Number: MFCD00051706
• PubChem SID: 162043654
• PubChem CID: 2774402

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0838943
• LogD (pH = 7.4): 4.084378
• Log P: 4.084384
• Molar Refractivity: 60.2472 cm^3
• Polarizability: 22.646904 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-57°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%