2-(2,4-dichlorophenoxy)aniline hydrochloride

• ChemBase ID: 85608
• Molecular Formular: C12H10Cl3NO
• Molecular Mass: 290.5729
• Monoisotopic Mass: 288.98279699
• SMILES: O(c1ccc(cc1Cl)Cl)c1ccccc1N.Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)Oc1ccccc1N.Cl
• InChI: InChI=1S/C12H9Cl2NO.ClH/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15;/h1-7H,15H2;1H
• InChIKey: VPOKWNPEXKYIPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)aniline hydrochloride
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)aniline hydrochloride
• Synonyms: 2-(2,4-Dichlorophenoxy)aniline hydrochloride; 2-(2,4-dichlorophenoxy)aniline hydrochloride; 2-(2,4-二氯苯氧基)苯胺 盐酸盐

Database IDs

• CAS Number: 89279-16-3
• EC Number: 000-000-0
• MDL Number: MFCD00052001
• Beilstein Number: 3736700
• PubChem SID: 162072724
• PubChem CID: 2795482

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8520887
• LogD (pH = 7.4): 3.8526888
• Log P: 3.8526964
• Molar Refractivity: 66.6088 cm^3
• Polarizability: 25.557575 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-98°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%