2-chloro-4,6-dimethylaniline

• ChemBase ID: 147294
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: Cc1cc(c(c(c1)Cl)N)C
• Canonical SMILES: Cc1cc(C)c(c(c1)Cl)N
• InChI: InChI=1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
• InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethylaniline
• IUPAC Traditional name: 2-chloro-4,6-dimethylaniline
• Synonyms: 2-Chloro-4,6-dimethylaniline; 2-Chloro-4,6-dimethylaniline; 2-氯-4,6-二甲基苯胺

Database IDs

• CAS Number: 63133-82-4
• EC Number: 263-896-4
• MDL Number: MFCD00044118
• PubChem SID: 24864588; 162241484
• PubChem CID: 113033

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7734358
• LogD (pH = 7.4): 2.7751849
• Log P: 2.7752073
• Molar Refractivity: 45.6456 cm^3
• Polarizability: 16.859037 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-40 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.11 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-36/37/38-40
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335-H351
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: 96%
• Linear Formula: ClC6H2(CH3)2NH2

DETAILS

Sigma Aldrich - 394327

Packaging
100 g in glass bottle