2,4,6-trimethylaniline

• ChemBase ID: 85597
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: Nc1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N
• InChI: InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
• InChIKey: KWVPRPSXBZNOHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethylaniline
• IUPAC Traditional name: 2,4,6-trimethylaniline
• Synonyms: 2,4,6-Trimethylbenzenamine; Mesitylamine; 2,4,6-Trimethylaniline; 2,4,6-TRIMETHYLANILINE; AMINOMESITYLENE; AMINOMESITYLENE; Mesidine; 2,4,6-Trimethylaniline; 2-Aminomesitylene; 均三甲苯胺; 2,4,6-三甲基苯胺

Database IDs

• CAS Number: 88-05-1
• EC Number: 201-794-3
• MDL Number: MFCD00007740
• Beilstein Number: 636559
• PubChem SID: 24847550; 24889635; 162072713
• PubChem CID: 6913
• Chemspider ID: 6647
• KEGG ID: C19540
• Wikipedia Title: 2,4,6-Trimethylaniline

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.628139
• LogD (pH = 7.4): 2.6838253
• Log P: 2.6845841
• Molar Refractivity: 45.882 cm^3
• Polarizability: 16.793894 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: clear brown liquid (clear)
• Melting Point: -5°C
• Boiling Point: 108-110 °C/11 mmHg(lit.); 232-234°C; 233 °C(lit.); 233°C
• Flash Point: 204.8 °F; 96 °C; 96°C(204°F)
• Density: 0.95 g/ml; 0.962; 0.963 g/mL; 0.963 g/mL at 25 °C(lit.)
• Refractive Index: 1.5510; n20/D 1.551; n20/D 1.551(lit.)
• Transition Temperature: solidification point -5--2 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Toxic
• RTECS: BZ0700000
• European Hazard Symbols: Toxic (T); Highly toxic (T+); Harmful (Xn)
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 21/22-23-36/37/38; 21/22-26-36/38; R:22-36
• Safety Statements: 26-28-36/37-45; S:26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H315-H319-H330; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: (CH3)3C6H2NH2

DETAILS

MP Biomedicals - 02157070

1 ml = Approx. 0.96 g

MP Biomedicals - 05213142

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 132179

Packaging
25, 100 mL in glass bottle