3-bromo-N,N-dimethylaniline

• ChemBase ID: 87927
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: Brc1cccc(c1)N(C)C
• Canonical SMILES: Brc1cccc(c1)N(C)C
• InChI: InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
• InChIKey: USEXQPWLCGBYNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-N,N-dimethylaniline
• IUPAC Traditional name: 3-bromo-N,N-dimethylaniline
• Synonyms: 3-Bromo-N,N-dimethyl-benzenamine; m-BROMODIMETHYL ANILINE; (3-Bromophenyl)dimethylamine; 3-Bromo-N,N-dimethylaniline; 3-Bromo-N,N-dimethylaniline; 3-溴-N,N-二甲基苯胺

Database IDs

• CAS Number: 16518-62-0
• EC Number: 000-000-0
• MDL Number: MFCD00045020
• Beilstein Number: 2079908
• PubChem SID: 162074967; 24884873
• PubChem CID: 140102

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8494637
• LogD (pH = 7.4): 2.850035
• Log P: 2.8500423
• Molar Refractivity: 48.1094 cm^3
• Polarizability: 17.893724 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Light Yellow Liquid
• Melting Point: 11°C; 11°C
• Boiling Point: 126°C/14mm; 126°C/14mm
• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.365; 1.402 g/mL at 25 °C
• Refractive Index: 1.6015; n20/D 1.6015

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332-H315-H319
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%
• Linear Formula: BrC6H5N(CH3)2

DETAILS

Sigma Aldrich - 666939

Packaging
1, 5 g in glass bottle