O-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride

• ChemBase ID: 42332
• Molecular Formular: C7H9Cl2NO
• Molecular Mass: 194.05846
• Monoisotopic Mass: 193.00611927
• SMILES: c1(c(Cl)cccc1)CON.Cl
• Canonical SMILES: NOCc1ccccc1Cl.Cl
• InChI: InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
• InChIKey: GZKKABCYIDGALV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride
• IUPAC Traditional name: O-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride
• Synonyms: 1-[(Aminooxy)methyl]-2-chlorobenzene hydrochloride; O-(2-Chlorobenzyl)hydroxylamine hydrochloride; 1-[(Aminooxy)methyl]-2-chlorobenzene hydrochloride

Database IDs

• CAS Number: 5555-48-6
• MDL Number: MFCD01114592
• PubChem SID: 162047095
• PubChem CID: 19974989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9540058
• LogD (pH = 7.4): 1.9658293
• Log P: 1.9659821
• Molar Refractivity: 41.7484 cm^3
• Polarizability: 16.254404 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 148 °C; 145-148°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%