2-chloro-N-methylaniline

• ChemBase ID: 86919
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: N(c1ccccc1Cl)C
• Canonical SMILES: CNc1ccccc1Cl
• InChI: InChI=1S/C7H8ClN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
• InChIKey: WGNNILPYHCKCFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methylaniline
• IUPAC Traditional name: 2-chloro-N-methylaniline
• Synonyms: 2-(Methylamino)chlorobenzene; 2-Chloro-N-methylaniline; 2-Chloro-N-methylaniline; N-Methyl-2-chloroaniline; N1-methyl-2-chloroaniline; 2-氯-N-甲基苯胺

Database IDs

• CAS Number: 932-32-1
• EC Number: 000-000-0
• MDL Number: MFCD00045170
• Beilstein Number: 2802444
• PubChem SID: 162074035; 24877867
• PubChem CID: 136736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0456507
• LogD (pH = 7.4): 2.0500128
• Log P: 2.0500686
• Molar Refractivity: 41.0566 cm^3
• Polarizability: 15.172388 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 218 °C(lit.); 218°C; 218°C
• Flash Point: 197.6 °F; 92 °C; 92°C(197°F)
• Density: 1.15; 1.15 g/mL at 25 °C(lit.); 1.150
• Refractive Index: 1.5790; 1.5800; n20/D 1.579(lit.)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33-36/38; 36/37/38
• Safety Statements: 26-28-36/37; 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H315-H319-H373-H227
• GHS Precautionary statements: P210-P260-P305+P351+P338-P302+P352-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

Product Information

• Purity: 97%; TECH
• Linear Formula: ClC6H4NHCH3

DETAILS

Sigma Aldrich - 532207

Packaging
10 g in glass bottle