2-chloro-5-methylaniline

• ChemBase ID: 69016
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: Nc1c(ccc(c1)C)Cl
• Canonical SMILES: Cc1ccc(c(c1)N)Cl
• InChI: InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
• InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methylaniline
• IUPAC Traditional name: 2-chlor-5-methyl-aniline
• Synonyms: 6-Chloro-m-toluidine; 2-Chloro-5-methylaniline; 3-AMINO-4-CHLOROTOLUENE; 3-Amino-4-chlorotoluene; 2-Chloro-5-methylaniline 99+%; 2-Chloro-5-methylaniline; 2-氯-5-甲基苯胺

Database IDs

• CAS Number: 95-81-8
• EC Number: 202-454-7
• MDL Number: MFCD00007674
• PubChem SID: 24853479; 162034745
• PubChem CID: 66770

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2603183
• LogD (pH = 7.4): 2.2617674
• Log P: 2.261786
• Molar Refractivity: 40.6044 cm^3
• Polarizability: 15.092567 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 29 - 30°C; 29-30 °C(lit.); 29-30°C; 31-33°C
• Boiling Point: 228-230 °C(lit.); 228-230°C; 228-230°C
• Flash Point: 107 °C; 107°C; 107°C(225°F); 224.6 °F
• Hydrophobicity(logP): 2.407

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2239; UN2239
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22-33-36/38; 20/21/22-36/37/38
• Safety Statements: 26-28-36/37; 26-28-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H331-H302-H312-H315-H319-H373
• GHS Precautionary statements: P260-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2239 6.1/PG 3

Product Information

• Purity: 95%; 95+%; 98%; 99%
• Linear Formula: ClC6H3(CH3)NH2

DETAILS

Sigma Aldrich - 225118

Packaging
5, 25 g in glass bottle