2,3-dimethylaniline

• ChemBase ID: 107053
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: Cc1c(C)c(N)ccc1
• Canonical SMILES: Cc1c(C)cccc1N
• InChI: InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
• InChIKey: VVAKEQGKZNKUSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylaniline
• IUPAC Traditional name: 2,3-dimethylaniline
• Synonyms: 2,3-DIMETHYLANILINE; CN-Cbl; 1-Amino-2,3-dimethylbenzene; 2,3-Xylidine; 3-Amino-o-xylene; 2,3-Dimethylaniline; 2,3-dimethylphenylamine; 1-氨基-2,3-二甲苯; 2,3-二甲苯胺; 3-氨基邻二甲苯; 2,3-二甲基苯胺

Database IDs

• CAS Number: 87-59-2
• EC Number: 201-755-0; 215-091-4
• MDL Number: MFCD00007732
• Beilstein Number: 742174
• Merck Index: 1410084
• PubChem SID: 162094262; 24893445
• PubChem CID: 6893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.111076
• LogD (pH = 7.4): 2.1703515
• Log P: 2.1711626
• Molar Refractivity: 40.8408 cm^3
• Polarizability: 15.028869 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 2.5 °C(lit.); 2-3°C
• Boiling Point: 221-222 °C(lit.); 221-222°C
• Flash Point: 204.8 °F; 96 °C; 96°C(204°F)
• Density: 0.992; 0.993 g/mL at 25 °C(lit.)
• Refractive Index: 1.5680; n20/D 1.569(lit.)
• Vapor Density: 4.2 (vs air)

Safety Information

• RTECS: ZE8750000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1711; UN1711
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25-33-51/53; R:23/24/25-33-51/53
• Safety Statements: 28-36/37-45-61; S:28-45-61-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H373-H411
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P311; P280H-P273-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: 98%; 99%
• Linear Formula: (CH3)2C6H3NH2

DETAILS

MP Biomedicals - 05202371

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D145807

Packaging
100, 500 g in glass bottle