2,4-dichloro-N-hydroxybenzene-1-carboximidamide

• ChemBase ID: 297545
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: c1cc(c(cc1Cl)Cl)C(=N)NO
• Canonical SMILES: ONC(=N)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C7H6Cl2N2O/c8-4-1-2-5(6(9)3-4)7(10)11-12/h1-3,12H,(H2,10,11)
• InChIKey: MANQHFUAAAGDIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-N-hydroxybenzene-1-carboximidamide
• IUPAC Traditional name: 2,4-dichloro-N-hydroxybenzenecarboximidamide
• Synonyms: 2,4-Dichloro-N-hydroxybenzenecarboximidamide; 2,4-Dichlorobenzamidoxime; 2,4-二氯苄胺肟

Database IDs

• CAS Number: 22179-80-2
• MDL Number: MFCD00178762
• PubChem SID: 180683076
• PubChem CID: 9581031

CALCULATED PROPERTIES

• Acid pKa: 14.803791
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.4693092
• LogD (pH = 7.4): 2.1420927
• Log P: 2.1634552
• Molar Refractivity: 69.5975 cm^3
• Polarizability: 18.491987 Å^3
• Polar Surface Area: 56.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%