2,4-dimethylaniline

• ChemBase ID: 107819
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: Cc1ccc(N)c(C)c1
• Canonical SMILES: Cc1ccc(c(c1)C)N
• InChI: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
• InChIKey: CZZZABOKJQXEBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylaniline
• IUPAC Traditional name: 2,4-dimethylaniline
• Synonyms: 2,4-Dimethylaniline; 1-Amino-2,4-dimethylbenzene; 2,4-Xylidine; 4-Amino-m-xylene; 2,4-DIMETHYLANILINE; 2,4-二甲基苯胺; 1-氨基-2,4-二甲基苯; 2,4-二甲苯胺; 4-氨基间二甲苯

Database IDs

• CAS Number: 95-68-1
• EC Number: 202-440-0
• MDL Number: MFCD00007738
• Beilstein Number: 636243
• Merck Index: 1410084
• PubChem SID: 24858192; 24867795; 162094095; 24864616; 24854443
• PubChem CID: 7250

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0896952
• LogD (pH = 7.4): 2.1700346
• Log P: 2.1711626
• Molar Refractivity: 40.8408 cm^3
• Polarizability: 15.028082 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -14.3 °C(lit.); 16°C
• Boiling Point: 218 °C(lit.); 98-101°C/11mm
• Flash Point: 208.4 °F; 90°C(194°F); 98 °C
• Auto Ignition Point: 860 °F
• Density: 0.977; 0.98 g/mL at 25 °C(lit.)
• Refractive Index: 1.5590; n20/D 1.558; n20/D 1.558(lit.)
• Vapor Pressure: 0.16 mmHg ( 25 °C)
• Vapor Density: 4.2 (vs air)

Safety Information

• RTECS: ZE8925000
• 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: 23/24/25-33-40-51/53; 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
• Explode Limits: 7 %
• GHS Hazard statements: H301-H311-H331-H351-H373-H227-H411; H301-H311-H331-H373-H411
• GHS Precautionary statements: P210-P260-P301+P310-P361-P405-P501A; P261-P273-P280-P301 + P310-P311
• 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: ≥95.0% (GC); ≥99%; 98%; 99%
• Grade: analytical standard; technical
• Packaging: ampule of 1000 mg
• Linear Formula: (CH3)2C6H3NH2

DETAILS

MP Biomedicals - 05205130

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 301493

Packaging
250 mL in glass bottle

Sigma Aldrich - 240915

Packaging
50 g in glass bottle