1-nitrosonaphthalen-2-ol

• ChemBase ID: 92024
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: Oc1c(c2ccccc2cc1)N=O
• Canonical SMILES: O=Nc1c(O)ccc2c1cccc2
• InChI: InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
• InChIKey: YXAOOTNFFAQIPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 131-91-9
• EC Number: 205-043-0
• MDL Number: MFCD00003884
• Beilstein Number: 776947
• Merck Index: 146641
• PubChem SID: 162078722; 24847189
• PubChem CID: 8580
• Color Index Number: 10005

CALCULATED PROPERTIES

• Acid pKa: 7.4343467
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.731887
• LogD (pH = 7.4): 2.456231
• Log P: 2.7368653
• Molar Refractivity: 50.0625 cm^3
• Polarizability: 19.451601 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: brown; tan to brown crystalline
• Melting Point: 104-108°C dec.; 106°C; 106°C (decomposes); 106-108 °C (dec.)(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QL4725000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36/37/38; 22-36/37/38-50; R:22-40-36/37/38
• Safety Statements: 26-36; 26-36/37-61; S:46-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335-H400; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%; ≥97.0%; ≥98.5% (NT); 97%; 99%
• Grade: puriss. p.a.; SAJ special grade
• Ignition Residue: ≤0.1%
• Quality: for the detection of B, Co, Cu, Fe, Mo, Ni, Pd, V, Zr; for the determination of Co, Cu, Fe, K, Pd, Zr
• Linear Formula: ONC10H6OH

DETAILS

MP Biomedicals - 02150142

Purity: >95%
Tan to brown crystals.
Reagent for detection of tyrosine on chromatographic separation.
POSSIBLE CARCINOGEN!

MP Biomedicals - 05201521

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 114693

Packaging
25, 100 g in glass bottle

REFERENCES

• Reagent for determination of Co, Cu, Fe, etc.