2,6-dimethylaniline

• ChemBase ID: 68981
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: Nc1c(cccc1C)C
• Canonical SMILES: Cc1cccc(c1N)C
• InChI: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
• InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylaniline
• IUPAC Traditional name: 2,6-dimethylaniline
• Synonyms: 2,6-Xylidine; 2-Amino-1,3-dimethylbenzene; 2,6-dimethylaniline; 2,6-dimethylbenzenamine; 2,6-dimethylphenylamine; 2,6-Xylidine; 2,6-Dimethylaniline; 2-Amino-m-xylene; 2,6-Dimethylaniline; 2,6-二甲苯胺; 2-氨基-1,3-二甲苯; 2-氨基间二甲苯; 2,6-二甲基苯胺

Database IDs

• CAS Number: 87-62-7
• EC Number: 201-758-7
• MDL Number: MFCD00007747
• Beilstein Number: 636332
• Merck Index: 1410084
• PubChem SID: 162034711; 24864649; 24867801; 24862784; 24893446
• PubChem CID: 6896
• CHEBI ID: 28738
• Chemspider ID: 6630
• KEGG ID: C11004
• Wikipedia Title: 2,6-Xylidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1441185
• LogD (pH = 7.4): 2.1708114
• Log P: 2.1711626
• Molar Refractivity: 40.8408 cm^3
• Polarizability: 15.028994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear to yellow redish liquid
• Melting Point: 10-12 °C(lit.); 10-12°C; 11°C; 11.45°C; 11°C
• Boiling Point: 214 °C/739 mmHg(lit.); 214°C/739mm; 215°C; 216°C; 216°C
• Flash Point: 195.8 °F; 91 °C; 91°C; 91°C(195°F)
• Density: 0.98 g/ml; 0.981; 0.984; 0.984 g/mL at 25 °C(lit.); 0.9842 g/mL
• Refractive Index: 1.5600; n20/D 1.560; n20/D 1.560(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Carcinogenic/Light Sensitive/Keep Cold
• RTECS: ZE9275000
• European Hazard Symbols: Nature polluting (N); Toxic (T); X; Harmful (Xn)
• UN Number: 1711; UN1711
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 20/21/22-37/38-40-51/53; R:22-45
• Safety Statements: 23-25-36/37-61; S:28-36/37/39-45-53
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332-H315-H335-H351-H411; H351-H302-H312-H332-H315-H335-H227-H401-H411
• GHS Precautionary statements: P260-P280H-P262-P273; P261-P273-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1711 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%; 99%
• Grade: analytical standard; PESTANAL®, analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: (CH3)2C6H3NH2

DETAILS

MP Biomedicals - 05208373

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D146005

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 36766

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

• Hindered aromatic amines do not form imines by direct reaction with benzophenones. An indirect route involves formation of the imine with an aldehyde, introduction of the second aryl group by 1,2-addition of the aryllithium and dehydrogenation of the resulting secondary amine with DDQ: J. Org. Chem., 54, 2464 (1989).