2-chloro-6-methylaniline

• ChemBase ID: 68982
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: Nc1c(cccc1C)Cl
• Canonical SMILES: Nc1c(C)cccc1Cl
• InChI: InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
• InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylaniline
• IUPAC Traditional name: 2-chloro-6-methyl-aniline; @2-chloro-6-methyl-aniline
• Synonyms: 2-AMINO-3-CHLOROTOLUENE PRACTICAL GRADE; (2-Chloro-6-methylphenyl)amine; 2-Chloro-6-methylaniline; 2-Chloro-6-methylbenzenamine; 2-Methyl-6-chloroaniline; 3-Chloro-2-aminotoluene; 6-Chloro-2-methylaniline; NSC 60121; 2-Chloro-6-methylaniline; 2-Chloro-6-methylaniline; 2-Amino-3-chlorotoluene; 6-Chloro-o-toluidine; 2-氨基-3-氯甲苯; 6-氯邻甲苯胺; 2-氯-6-甲基苯胺

Database IDs

• CAS Number: 87-63-8
• EC Number: 201-759-2
• MDL Number: MFCD00007679
• Beilstein Number: 774624
• PubChem SID: 162034712; 24892753
• PubChem CID: 6897

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2610877
• LogD (pH = 7.4): 2.2617772
• Log P: 2.261786
• Molar Refractivity: 40.6044 cm^3
• Polarizability: 15.095821 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10-12 °C(lit.); 10-12°C°C; 2°C
• Boiling Point: 215 °C(lit.); 215°C; 215°C°C
• Flash Point: 105 °C; 221 °F; 98°C(208°F)
• Density: 1.152; 1.152 g/mL at 25 °C(lit.); 1.174
• Refractive Index: 1.5760; 1.5775; n20/D 1.576(lit.)
• Hydrophobicity(logP): 2.357

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: XU5100000
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 3429; UN3429
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H315-H319-H373
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3429 6.1/PG 3

Product Information

• Purity: 95%; 95+%; 98%
• Grade: PRACTICAL
• Linear Formula: ClC6H3(CH3)NH2

DETAILS

Sigma Aldrich - C51008

Packaging
1 g in glass bottle

Toronto Research Chemicals - C369070

2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.

REFERENCES

• Simonyi, M. et al.: Kinet. Mech. Polyreactions, Int. Symp. Macromol. Chem., Prepr., 3, 119 (1969)