4-bromo-2,6-dimethylaniline

• ChemBase ID: 68687
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: Nc1c(cc(cc1C)Br)C
• Canonical SMILES: Brc1cc(C)c(c(c1)C)N
• InChI: InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
• InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,6-dimethylaniline
• IUPAC Traditional name: 4-bromo-2,6-dimethylaniline
• Synonyms: 4-Bromo-2,6-dimethylaniline; 4-Bromo-2,6-dimethylaniline; 2-Amino-5-bromo-m-xylene; 4-Bromo-2,6-xylidine; 4-Bromo-2,6-dimethylaniline 98%; 2,6-二甲基-4-溴苯胺; 4-溴-2,6-二甲基苯胺

Database IDs

• CAS Number: 24596-19-8
• EC Number: 246-337-9
• MDL Number: MFCD00007826
• Beilstein Number: 1936300
• PubChem SID: 162034417; 24851542
• PubChem CID: 90549

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9343297
• LogD (pH = 7.4): 2.9398446
• Log P: 2.9399152
• Molar Refractivity: 48.4636 cm^3
• Polarizability: 17.751518 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47-52°C; 48-51 °C; 48-51 °C(lit.); 48-51°C; 51 - 52°C
• Boiling Point: 120°C/0.2mm; 120°C/0.2mm
• Flash Point: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• Hydrophobicity(logP): 2.956

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33-36/38; 38-43
• Safety Statements: 26-36/37; 36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H334; H331-H302-H312-H315-H319-H373
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 95%; 95+%; 98%
• Grade: purum
• Linear Formula: BrC6H2(CH3)2NH2

DETAILS

Sigma Aldrich - 192376

Packaging
25, 100 g in glass bottle