2,4-dichloro-6-methylaniline

• ChemBase ID: 90906
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: Nc1c(cc(cc1C)Cl)Cl
• Canonical SMILES: Clc1cc(C)c(c(c1)Cl)N
• InChI: InChI=1S/C7H7Cl2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
• InChIKey: UAISVUGQLKXPFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylaniline
• IUPAC Traditional name: 2,4-dichloro-6-methylaniline
• Synonyms: 2-Amino-3,5-dichlorotoluene; 4,6-Dichloro-o-toluidine; 2,4-Dichloro-6-methylaniline 98%; 2,4-Dichloro-6-methylaniline; 2-氨基-3,5-二氯甲苯; 2,4-二氯-6-甲基苯胺

Database IDs

• CAS Number: 30273-00-8
• EC Number: 000-000-0
• MDL Number: MFCD00044074
• Beilstein Number: 2208221
• PubChem SID: 162077615; 24880488
• PubChem CID: 1268287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8657143
• LogD (pH = 7.4): 2.8658292
• Log P: 2.8658307
• Molar Refractivity: 45.4092 cm^3
• Polarizability: 16.987494 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-46 °C(lit.); 43-45°C; 43-45°C
• Boiling Point: 82-84°C/0.1mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: Cl2C6H2(CH3)NH2

DETAILS

Sigma Aldrich - 569240

Packaging
1, 5 g in glass bottle