2-methylaniline

• ChemBase ID: 78563
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: Nc1c(cccc1)C
• Canonical SMILES: Cc1ccccc1N
• InChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
• InChIKey: RNVCVTLRINQCPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylaniline
• IUPAC Traditional name: toluidine
• Synonyms: o-Toluidine - thiourea solution; o-Toluidine reagent; o-toluidine; o-Toluidine; Poly(2-methylaniline), emeraldine salt from p-toluenesulfonic acid; Poly(2-ethylaniline), emeraldine base; Poly(2-methylaniline), emeraldine base; 1-Amino-2-methylbenzene; 2-Amino-1-methylbenzene; 2-Methyl-1-aminobenzene; 2-Methylbenzenamine; 2-Methylphenylamine; 2-Tolylamine; NSC 15348; o-Aminotoluene; o-Methylaniline; o-Methylbenzenamine; 2-Toluidine; 2-Methylaniline; o-Toluidine solution; 2-Aminotoluene; o-Toluidine; 2-Methylaniline; 2-氨基甲苯; 2-甲基苯胺; 邻甲基苯胺; 聚(2-甲基苯胺), 从对甲苯磺酸得到的苯胺绿盐; 聚(2-乙基苯胺), 苯胺绿基; 聚(2-甲基苯胺), 苯胺绿基; 邻甲苯胺; 邻甲苯胺 溶液

Database IDs

• CAS Number: 95-53-4
• EC Number: 202-429-0
• MDL Number: MFCD02688592; MFCD02688597; MFCD02688596; MFCD00007730
• Beilstein Number: 741981
• Merck Index: 149536
• PubChem SID: 162043326; 24899944; 24889242; 24871676; 24889241; 24870332; 24867986; 24851137
• PubChem CID: 7242

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.618431
• LogD (pH = 7.4): 1.6572233
• Log P: 1.6577413
• Molar Refractivity: 35.7996 cm^3
• Polarizability: 13.263299 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Soluble in organic solvents
• Apperance: Clear colorless Oil; light yellow to light amber liquid; Powder
• Melting Point: -24°C; -28 °C(lit.)
• Boiling Point: 199-200 °C(lit.); 199-200°C; 89-90 °C/11 mmHg(lit.)
• Flash Point: 104 - 122 °F; 104 °F; 185 °F; 40 - 50 °C; 40 °C; 85 °C; 85°C(185°F)
• Auto Ignition Point: 899 °F
• Density: 1.004; 1.008 g/mL at 25 °C(lit.)
• Refractive Index: 1.5720; n20/D 1.572; n20/D 1.572(lit.)
• Vapor Pressure: 0.26 mmHg ( 25 °C)
• Vapor Density: 3.7 (vs air)

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• Storage Warning: Air & Light Sensitive
• RTECS: XU2975000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1230; 1708; 2789; 2920; UN1708
• German water hazard class: 3
• Hazard Class: 3; 6.1; 8
• Packing Group: 1; 2; II
• Risk Statements: 45-10-20/22-35-50; 45-23/24/25-39/23/24/25; 45-23/25-36-50
• Safety Statements: 53-26-36/37/39-45-61; 53-36/37-45; 53-45-61
• TSCA Listed: 否; 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314-H350-H400; H301-H311-H331-H350-H370; H301-H319-H331-H350-H400; H301-H331-H319-H350-H400-H227
• GHS Precautionary statements: P201-P260-P280-P301 + P310-P311; P201-P261-P273-P301 + P310-P305 + P351 + P338-P311; P201-P273-P280-P305 + P351 + P338-P310; P273-P201-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1708 6.1/PG 2; UN 2789 8/PG 2; UN 2920 8/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.5% (GC); 98%; 99%
• Concentration: 2000 μg/mL in methanol
• Grade: analytical standard; analytical standard, for environmental analysis; purum p.a.; SAJ special grade; technical
• Compostion: o-toluidine, 6%; thiourea in acetic acid, 1.5%
• Packaging: ampule of 1 mL; ampule of 100 mg
• Ignition Residue: ≤0.01% (as SO4)
• Impurities: ≤0.1% p-toluidine; ≤0.1% water; ≤0.5% m- and p-toluidine (GC); ≤0.5% m-toluidine; ≤0.5% water
• Cation Traces: Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤1 mg/kg; Fe: ≤1 mg/kg; K: ≤20 mg/kg; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Na: ≤20 mg/kg; Ni: ≤1 mg/kg; Pb: ≤1 mg/kg; Zn: ≤1 mg/kg
• Quality: for colorimetric det. of glucose
• Linear Formula: CH3C6H4NH2

DETAILS

Sigma Aldrich - 16224

Caution
The change of color due to oxidation during storage does not affect most applications. A colorless product is only available directly after distillation.

Sigma Aldrich - 89610

Caution
may discolor on storage

Sigma Aldrich - T1199

Components
Solution contains o-toluidine and thiourea in glacial acetic acid.
Application
For use in the colorimetric determination of glucose.
Packaging
500 mL in poly bottle

Sigma Aldrich - 466190

Packaging
1, 3 L in glass bottle

Sigma Aldrich - 185426

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - T1406

Preparation Note
经处理使生色最少

Toronto Research Chemicals - T536205

A carcinogenic and toxic aromatic amine contained in hair dye, henna and dyed hair samples.

REFERENCES

• El-Bayoumy, K., et al.: Cancer Res., 46, 6064 (1986)
• Turesky, R., et al.: Chem. Res. Toxicol., 16, 1162 (1986)
• Andrew, A., et al.: Int. J. Cancer, 109, 581 (1986)
• Pinheiro, H., et al.: Dyes Pigments, 61, 121 (1986)
• Kirkland, D., et al.: Mutat. Res., 5