2-[(1E)-(hydroxyimino)methyl]phenol

• ChemBase ID: 21918
• Molecular Formular: C7H7NO2
• Molecular Mass: 137.13598
• Monoisotopic Mass: 137.04767847
• SMILES: c1(c(O)cccc1)/C=N/O
• Canonical SMILES: O/N=C/c1ccccc1O
• InChI: InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H/b8-5+
• InChIKey: ORIHZIZPTZTNCU-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1E)-(hydroxyimino)methyl]phenol; 2-[(hydroxyimino)methyl]phenol
• IUPAC Traditional name: 2-[(1E)-(hydroxyimino)methyl]phenol; 2-[(hydroxyimino)methyl]phenol
• Synonyms: Salicylaldehyde oxime; Saldox; 2-Hydroxybenzaldehyde oxime; 2-Hydroxybenzaldehyde oxime; SALICYLALDOXIME; (E)-2-hydroxybenzaldehyde oxime; Salicylaldoxime; 2-羟基苯甲醛肟; 水杨醛肟

Database IDs

• CAS Number: 94-67-7
• EC Number: 202-353-8
• MDL Number: MFCD00002120
• Beilstein Number: 1859881
• Merck Index: 148327
• PubChem SID: 24888183; 160985225
• PubChem CID: 5359280
• Chemspider ID: 10446269
• Wikipedia Title: Salicylaldoxime

CALCULATED PROPERTIES

• Acid pKa: 7.5296755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3874935
• LogD (pH = 7.4): 1.1516161
• Log P: 1.3916626
• Molar Refractivity: 38.4446 cm^3
• Polarizability: 14.1868925 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 25 g L^-1 in water
• Apperance: white to off-white crystals
• Melting Point: 55-59°C; 55-59°C; 57-59 °C; 59 - 61°C; 59°C; 59-61 °C(lit.)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: IRRITANT
• RTECS: VN5775000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

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• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 95+%; 98%
• Linear Formula: 2-(HO)C6H4CH=NOH

DETAILS

MP Biomedicals - 02156575

Crystalline

MP Biomedicals - 05218091

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 84172

Other Notes
Reagent for the spectrophotometric determination of Cu(II), Fe (III), Mo(VI) and Ni(II); a review1
Packaging
100 g in poly bottle