5-chloro-2-methoxyaniline hydrochloride

• ChemBase ID: 85721
• Molecular Formular: C7H9Cl2NO
• Molecular Mass: 194.05846
• Monoisotopic Mass: 193.00611927
• SMILES: Nc1cc(ccc1OC)Cl.Cl
• Canonical SMILES: COc1ccc(cc1N)Cl.Cl
• InChI: InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
• InChIKey: ASEYMHNCCXSHIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxyaniline hydrochloride
• IUPAC Traditional name: 5-chloro-2-methoxyaniline hydrochloride
• Synonyms: 2-AMINO-4-CHLORO ANISOLE, DIAZO SALT; 2-Amino-4-chloroanisole hydrochloride; 5-Chloro-o-anisidine hydrochloride; 5-Chloro-2-methoxyaniline hydrochloride; p-CHLORO-o-AMINOANISOLE HYDROCHLORIDE, REAGENT GRADE; 5-Chloro-2-methoxyaniline hydrochloride; 5-氯-2-甲氧基苯胺.盐酸盐

Database IDs

• CAS Number: 4274-03-7
• EC Number: 224-272-7
• MDL Number: MFCD00035488
• PubChem SID: 162072837
• PubChem CID: 77957

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5871061
• LogD (pH = 7.4): 1.5906479
• Log P: 1.5906932
• Molar Refractivity: 42.0264 cm^3
• Polarizability: 15.859723 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228°C; ca 228°C dec.

Safety Information

• Storage Warning: Toxic
• European Hazard Symbols: Toxic (T)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 24/25-33-36/38
• Safety Statements: 26-28-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H311-H315-H319-H373
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 97%; 98%
• Grade: REAGENT

DETAILS

MP Biomedicals - 05204278

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05203447

MP Biomedicals Rare Chemical collection