2-methyl-6-nitroaniline

• ChemBase ID: 18472
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1ccc(c(c1[N+](=O)[O-])N)C
• Canonical SMILES: [O-][N+](=O)c1cccc(c1N)C
• InChI: InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
• InChIKey: FCMRHMPITHLLLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-nitroaniline
• IUPAC Traditional name: 2-methyl-6-nitrobenzeneamine
• Synonyms: 2-Methyl-6-nitroaniline; 2-Nitro-6-methylaniline; 3-Nitro-2-aminotoluene; NSC 286; NSC 52218; 2-Methyl-6-nitro-benzenamine; 1-Amino-2-methyl-6-nitrobenzene; 1-Nitro-2-amino-3-methylbenzene; 2-AMINO-3-NITROTOLUENE; 2-Amino-3-nitrotoluene; 2-Methyl-6-nitroaniline; 6-Nitro-o-toluidine; 2-Methyl-6-nitroaniline; 2-氨基-3-硝基甲苯; 6-硝基邻甲苯胺; 2-甲基-6-硝基苯胺

Database IDs

• CAS Number: 570-24-1
• EC Number: 209-329-6
• MDL Number: MFCD00007744
• Beilstein Number: 1868029
• PubChem SID: 160981779; 24869568; 24897059
• PubChem CID: 11298

CALCULATED PROPERTIES

• Acid pKa: 15.222473
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.247723
• LogD (pH = 7.4): 2.2477255
• Log P: 2.2477255
• Molar Refractivity: 42.1201 cm^3
• Polarizability: 15.119753 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; DMSO; Ethyl Acetate; Methanol
• Apperance: Orange Solid
• Melting Point: 93-93°C; 93-96 °C; 93-96 °C(lit.); 93-96°C; 93-96°C
• Flash Point: >110°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT; Toxic/Light Sensitive/Keep Cold
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 2660
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-33-51/53; R:22
• Safety Statements: 28-36/37-45-61; S:36/37/39
• TSCA Listed: false
• 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
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2660 6.1/PG 3

Product Information

• Purity: ≥99.0% (GC); 98%; 99%
• Grade: analytical standard, for environmental analysis; purum
• Linear Formula: CH3C6H3(NO2)NH2

DETAILS

MP Biomedicals - 05203585

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M59408

Packaging
10, 25, 100 g in glass bottle