2-nitrosonaphthalen-1-ol

• ChemBase ID: 103429
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: Oc1c(ccc2ccccc12)N=O
• Canonical SMILES: O=Nc1ccc2c(c1O)cccc2
• InChI: InChI=1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H
• InChIKey: SYUYTOYKQOAVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitrosonaphthalen-1-ol
• IUPAC Traditional name: 2-nitroso-1-naphthol
• Synonyms: 1-Hydroxy-2-nitrosonaphthalene; 2-NITROSO-1-NAPHTHOL; 2-Nitroso-1-naphthol; 2-亚硝基-1-萘酚

Database IDs

• CAS Number: 132-53-6
• EC Number: 205-064-5
• MDL Number: MFCD00003932
• Beilstein Number: 1867919
• PubChem SID: 162103296; 24847190; 24886622
• PubChem CID: 8592
• Color Index Number: 10010

CALCULATED PROPERTIES

• Acid pKa: 7.2622085
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7294877
• LogD (pH = 7.4): 2.3669283
• Log P: 2.7368653
• Molar Refractivity: 50.0625 cm^3
• Polarizability: 19.450676 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellow
• Melting Point: 150-155 °C (dec.)(lit.); 154-158°C dec.

Safety Information

• RTECS: QL4550000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: 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: ~95% (NT); ~96%; 95%; 97%
• Grade: p.a.
• Ignition Residue: ~1%
• Quality: for spectrophotometric det.of Co, Pd, Zr; for the detection of Co, Zr
• Linear Formula: ONC10H6OH

DETAILS

MP Biomedicals - 05216434

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151771

Purity: ~96%
Yellow powder
POSSIBLE CARCINOGEN!

Sigma Aldrich - N1258

包装
散装

Sigma Aldrich - 114707

Packaging
10 g in glass bottle

REFERENCES

• Reagent for determination of Co and Zr.