4-amino-2,6-dibromophenol

• ChemBase ID: 21903
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: c1(c(cc(cc1Br)N)Br)O
• Canonical SMILES: Nc1cc(Br)c(c(c1)Br)O
• InChI: InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
• InChIKey: HFYPXERYZGFDBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2,6-dibromophenol
• IUPAC Traditional name: 4-amino-2,6-dibromophenol
• Synonyms: 4-Amino-2,6-dibromophenol; 4-Hydroxy-3,5-dibromoaniline; 4-Amino-2,6-dibromophenol; 4-氨基-2,6-二溴苯酚

Database IDs

• CAS Number: 609-21-2
• EC Number: 210-185-1
• MDL Number: MFCD00007874
• Beilstein Number: 2803732
• PubChem SID: 160985210; 24859421
• PubChem CID: 69107

CALCULATED PROPERTIES

• Acid pKa: 7.675196
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3607242
• LogD (pH = 7.4): 2.1925633
• Log P: 2.37826
• Molar Refractivity: 47.9849 cm^3
• Polarizability: 18.096611 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195-196 °C(lit.); 195-196°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%; 97%
• Linear Formula: H2NC6H2(Br)2OH

DETAILS

MP Biomedicals - 05209378

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 323926

Packaging
5, 25 g in glass bottle