3,5-dimethylaniline

• ChemBase ID: 73333
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: Nc1cc(cc(c1)C)C
• Canonical SMILES: Cc1cc(C)cc(c1)N
• InChI: InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
• InChIKey: MKARNSWMMBGSHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylaniline
• IUPAC Traditional name: 3,5-dimethylaniline
• Synonyms: 1-Amino-3,5-dimethylbenzene; 3,5-Dimethylaniline; 3,5-Xylidine; 5-Amino-m-xylene; 3,5-Dimethylaniline 99%; 3,5-Dimethylaniline 97%; 3,5-DiMethylaniline; 1-氨基-3,5-二甲苯; 3,5-二甲苯胺; 5-氨基间二甲苯; 3,5-二甲基苯胺

Database IDs

• CAS Number: 108-69-0
• EC Number: 203-607-0
• MDL Number: MFCD00007813
• Beilstein Number: 507051
• Merck Index: 1410084
• PubChem SID: 162038253; 24848222
• PubChem CID: 7949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0335555
• LogD (pH = 7.4): 2.1691248
• Log P: 2.1711626
• Molar Refractivity: 40.8408 cm^3
• Polarizability: 15.028969 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 7-9 °C; 7-9°C; 9-11°C
• Boiling Point: 104-105 °C/14 mmHg(lit.); 220-221°C; 221°C
• Flash Point: 101 °C; 101.7°C; 213.8 °F; 93°C(199°F)
• Density: 0.971; 0.972; 0.972 g/mL at 25 °C(lit.)
• Refractive Index: 1.5578; 1.5580; n20/D 1.557; n20/D 1.557(lit.)

Safety Information

• Storage Warning: Toxic/Light Sensitive/Air Sensitive/Store under Argon
• RTECS: ZE9625000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1711; UN1711
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25-33-51/53
• Safety Statements: 28-36/37-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H373-H227-H411; H301-H311-H331-H373-H411
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P311; P280H-P273-P302+P352-P309-P310
• 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: ≥97.0% (GC); 97+%; 98%
• Grade: technical
• Linear Formula: (CH3)2C6H3NH2

DETAILS

Sigma Aldrich - 137863

Packaging
100, 500 mL in glass bottle