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National Center for Biotechnology Information. PubChem Compound Database; CID=8592, https://pubchem.ncbi.nlm.nih.gov/compound/8592 (accessed Sept. 5, 2018).
PubChem CID: 8592
Chemical Names: 2-NITROSO-1-NAPHTHOL; 132-53-6; 2-Nitrosonaphthol; 1-Naphthalenol, 2-nitroso-; 2-nitrosonaphthalen-1-ol; 1-Naphthol, 2-nitroso-   More...
Molecular Formula: C10H7NO2
Molecular Weight: 173.171 g/mol
InChI Key: SYUYTOYKQOAVDW-UHFFFAOYSA-N
Substance Registry: FDA UNII
Safety Summary: Laboratory Chemical Safety Summary (LCSS)

  1. 2D Structure
  2. 3D Conformer
  3. Names and Identifiers
    1. Computed Descriptors
      1. IUPAC Name
      2. InChI
      3. InChI Key
      4. Canonical SMILES
    2. Molecular Formula
    3. Other Identifiers
      1. CAS
      2. EC Number
      3. NSC Number
      4. UNII
      5. Wikipedia
    4. Synonyms
      1. MeSH Entry Terms
      2. Depositor-Supplied Synonyms
  4. Chemical and Physical Properties
    1. Computed Properties
    2. Spectral Properties
      1. Ultraviolet Spectroscopy
      2. Infrared Spectra
      3. 1D NMR Spectra
      4. Mass Spectrometry
        1. GC-MS
  5. Related Records
    1. Related Compounds with Annotation
    2. Related Compounds
    3. Substances
      1. Related Substances
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    4. Entrez Crosslinks
  6. Chemical Vendors
  7. Pharmacology and Biochemistry
    1. Metabolism/Metabolites
  8. Use and Manufacturing
    1. Methods of Manufacturing
    2. U.S. Production
    3. U.S. Imports
    4. U.S. Exports
  9. Identification
    1. Analytic Laboratory Methods
    2. Clutch Frame Girly Summer Prom Faux Sides HandBags Colours Leather Party Bag Elegant Red Evening Bag Ladies wxqqOICrz0
  10. Safety and Hazards
    1. Hazards Identification
      1. GHS Classification
    2. Accidental Release Measures
      1. Cleanup Methods
  11. Toxicity
    1. Toxicological Information
      1. Non-Human Toxicity Values
  12. Literature
    1. Suede Red Dal Van Van Clutch Dal Womens Garnet Hebe YPWx8Ynv
    2. NLM Curated PubMed Citations
    3. Sun' Azeeda 'Smiling CH00000848 Card Card Wallet Business Holder Credit 55vrAwqx
    4. Chemical Co-Occurrences in Literature
    5. Eastpak Backpack Eastpak Blue Austin Austin 7US51q1w
    6. Chemical-Gene Co-Occurrences in Literature
  13. Patents
    1. Depositor-Supplied Patent Identifiers
  14. Biological Test Results
    1. BioAssay Results
  15. Classification
    1. OntologiesBrand Alidier New Handbag Tote for New Bags Bag High Designer Red Quality Wine Handle Fashion Ladies Purse Top Shoulder 2016 and Women's f5fxwqdnr
      1. MeSH Tree
      2. WIPO IPC
      3. ChemIDplus
  16. Information Sources
  1. 2D Structure

  2. 3D Conformer

  3. Names and Identifiers

    New Shoulder Handbag Womens Shoulder Leather Ladies Bag Handbag Ladies Burgundy Tote Womens Tote 4SCqPRC
    1. Computed Descriptors

      1. IUPAC NameMoscow Bag retro Moscow Idakoos Drinks Tote repeat repeat Drinks retro Mule Idakoos Mule Canvas Ywagqa

        2-nitrosonaphthalen-1-ol
      2. InChI

        InChI=1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H
      3. InChI Key

        SYUYTOYKQOAVDW-UHFFFAOYSA-N
      4. Canonical SMILES

        C1=CC=C2C(=C1)C=CC(=C2O)N=O
    2. Molecular Formula

    3. Other IdentifiersFLHT Ladies Leather Wide Handbag Bag Strap Leather Messenger Red Bag Shoulder Backpack ZwBqZT7r

      1. CAS

        132-53-6
      2. EC Number

      3. NSC Number

      4. UNII

        CC0S5HO41V
      5. Wikipedia

        Title 2-nitroso-1-naphthol
        Description chemical compound
    4. Synonyms

      1. MeSH Entry Terms

        2-nitroso-1-naphthol
      2. Depositor-Supplied Synonyms

  4. Chemical and Physical PropertiesBlack Clutch studs bag accessories VICHY shoulder light strap gold Rockstud leather Saffiano bag metal studded with chain shoulder bag

    1. Computed Properties

      Property Name Property Value
      Molecular Weight 173.171 g/mol
      Hydrogen Bond Donor Count 1
      Hydrogen Bond Acceptor Count 3
      Rotatable Bond Count 0
      Complexity 195
      CACTVS Substructure Key Fingerprint AAADcYByMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgAECAAADAyBmAAwxsAQAgCBAiRCQgCCAAAgIgAIiAAFbIoKJiKSkZOAcABkwFEI2AeQwLAOiAABQAAYEAAQAAKAADAgAAAAAAAAAA==
      Topological Polar Surface Area 49.7 A^2
      Monoisotopic Mass 173.048 g/mol
      Exact Mass 173.048 g/mol
      XLogP3 2.5
      Compound Is Canonicalized true
      Formal Charge 0
      Heavy Atom Count 13
      Defined Atom Stereocenter Count 0
      Undefined Atom Stereocenter Count 0
      Defined Bond Stereocenter Count 0
      Undefined Bond Stereocenter Count 0
      Isotope Atom Count 0
      Covalently-Bonded Unit Count 1
    2. Spectral Properties

      IR: 2:704F (Aldrich Library of Infrared Spectra, Aldrich Chemical Co, Milwaukee, WI)
      Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985., p. V1 889
      NMR: 5:142D (Aldrich Library of Mass Spectra, Aldrich Chemical Co, Milwaukee, WI)
      Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985., p. V1 889
      1. Ultraviolet Spectroscopy

        Simple Travel Rucksack School Backpack E Bag School Fashion Casual Casual Bag Backpack Fashion FAvWqxPfwz
        Ultraviolet Spectroscopy: 1 of 1 (UV-VIS Spectra)
        Copyright Copyright © 2008-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
        Thumbnail
      2. Infrared Spectra

        Infrared Spectra: 1 of 3 (FTIR Spectra)
        Technique KBr WAFER
        Source of Sample Fluka Chemie AG, Buchs, Switzerland
        Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
        Thumbnail
        Infrared Spectra: 2 of 3 (ATR-IR Spectra)
        Instrument Name Bruker Tensor 27 FT-IR
        Technique ATR-Neat (DuraSamplIR II)
        Source of Spectrum Bio-Rad Laboratories, Inc.
        Source of Sample Sigma-Aldrich Company Llc.
        Catalog Number 114707
        Lot Number STBB8940V
        Copyright Copyright © 2014-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
        Thumbnail
        Infrared Spectra: 3 of 3 (FTIR Spectra)
        Technique KBr WAFER
        Source of Sample Fluka Chemie AG, Buchs, Switzerland
        Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
        Thumbnail
      3. 1D NMR Spectra

        1D NMR Spectra: 1 of 2 (13C NMR Spectra)
        Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
        Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
        Thumbnail
        1D NMR Spectra: 2 of 2 (1H NMR Spectra)
        Instrument Name Varian A-60
        Copyright Copyright © 2009-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
        Thumbnail
      4. Mass Spectrometry

        1. GC-MS
  5. Chemical Vendors

  6. Pharmacology and Biochemistry

    1. Metabolism/Metabolites

      PARTIALLY PURIFIED, UNTREATED RAT LIVER CYTOSOL CONTAINS AT LEAST 2 ENZYMES WHICH RAPIDLY REDUCE THE C-NITROSO CARCINOGEN, 2-NITROSO-1-NAPHTHOL IN THE PRESENCE OF NADPH OR NADH AT PH 6-7. 2-NITROSO-1-NAPHTHOL WAS NOT REDUCED BY RAT KIDNEY OR BRAIN CYTOSOL, PLASMA, OR HEMOGLOBIN.
      BERNHEIM ML C; REDUCTION OF CERTAIN C-NITRO COMPOUNDS BY RAT LIVER CYTOSOL; RES COMMUN CHEM PATHOL PHARMACOL 6(1) 151 (1973)
  7. Use and Manufacturing

    1. Methods of Manufacturing

      PROBABLY BY REACTION OF 1-NAPHTHOL WITH SODIUM NITRITE
      SRI
    2. U.S. Production

      (1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
      SRI
      (1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
      SRI
    3. U.S. Imports

      (1979) No Data
      SRI
      (1981) No Data
      SRI
    4. U.S. Exports

      (1979) No Data
      SRI
      (1981) No Data
      SRI
  8. Identification

    1. Analytic Laboratory Methods

      THE CLOSE RELATIONSHIP OBSERVED BETWEEN THE RM VALUES OF NAPHTHOLS AND ACETOPHENONES IN A THIN-LAYER CHROMATOGRAPHIC SYSTEM & THE LOG P VALUES OF THESE COMPD IN AN OCTANOL-WATER SYSTEM SUGGESTED THAT CALCULATION OF RM WOULD BE A GOOD MEASURE OF LIPOPHILICITY IN STRUCTURE-ACTIVITY STUDIES.
      BIAGI GL ET AL; RM VALUES OF NAPHTHOLS AND ACETOPHENONES IN STRUCTURE-ACTIVITY STUDIES; J CHROMATOGR 177(1) 35 (1979)
  9. Safety and Hazards

    1. Hazards Identification

      1. GHS Classification

        Signal: Warning
        GHS Hazard Statements
        Aggregated GHS information provided by 26 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

        H315 (100%): Causes skin irritation [ Warning Skin corrosion/irritation]
        H319 (100%): Causes serious eye irritation [ Warning Serious eye damage/eye irritation]
        H335 (96.15%): May cause respiratory irritation [ Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

        Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

        Precautionary Statement Codes
        P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
        (The corresponding statement to each P-code can be found here.)
    2. Accidental Release Measures

      1. Cleanup Methods

        A NEW ENZYMIC METHOD WAS DEVELOPED FOR THE REMOVAL OF PHENOLS & ANILINES FROM INDUSTRIAL WASTEWATERS. THIS INVOLVES THE TREATMENT OF AQ SOLN CONTAINING THE POLLUTANTS WITH HORSERADISH PEROXIDASE & H2O2. SUCH TREATMENT RESULTS IN PPTN OF PHENOLS & AROMATIC AMINES FROM WATER AS A RESULT OF THEIR ENZYMIC CROSSLINKING.
        KLIBANOV AM ET AL; ENZYMIC REMOVAL OF TOXIC PHENOLS AND ANILINES FROM WASTE WATERS; J APPL BIOCHEM 2(5) 414 (1980)
  10. Toxicity

    1. Toxicological Information

      1. Non-Human Toxicity Values

        LD50 MICE INTRAPERITONEAL 42.30 MG/KG
        ROSIELLO AP ET AL; RAPID AND ACCURATE DETERMINATION OF THE MEDIAN LETHAL DOSE (LD50) AND ITS ERROR WITH A SMALL COMPUTER; J TOXICOL ENVIRON HEALTH 3(5-6) 807 (1977)
  11. Literature

    1. Depositor Provided PubMed Citations

    2. NLM Curated PubMed Citations

    3. Springer Nature References

    4. Chemical Co-Occurrences in Literature

    5. Chemical-Disease Co-Occurrences in Literature

    6. Chemical-Gene Co-Occurrences in Literature

  12. Patents

    1. Depositor-Supplied Patent IdentifiersBag Idakoos chalk Tote Canvas Countries I love Thailand style BtqwrBz8x

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  14. Biological Test ResultsSaffiano studded gold leather strap chain studs Clutch bag accessories bag light shoulder VICHY shoulder metal Rockstud bag Black with

    1. BioAssay Results

  15. Classification

    1. Ontologies

      1. MeSH Tree

      2. WIPO IPC

      3. ChemIDplus

  16. Information Sources

    1. 2-Nitroso-1-naphthol
      https://chem.nlm.nih.gov/chemidplus/sid/0000132536
      ChemIDplus Chemical Information Classification
      https://chem.sis.nlm.nih.gov/chemidplus/chemidheavy.jsp
    2. 1-Naphthalenol, 2-nitroso-
      http://www.nist.gov/srd/nist1a.cfm
    3. 1,2-naphthoquinone-2-oxime
      https://pubchem.ncbi.nlm.nih.gov/substance/341732169
      Literature references related to scientific contents from Springer Nature journals and books. Read more ...
    4. PubChem
      bag bag leather Black Saffiano shoulder Rockstud studs with strap metal gold Clutch accessories studded chain bag light VICHY shoulder Data deposited in or computed by PubChem
      https://pubchem.ncbi.nlm.nih.gov
    5. International Patent Classification
      http://www.wipo.int/classifications/ipc/