Compound Summary for CID 8592 2-Nitroso-1-naphthol
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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).
|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 Weight:||173.171 g/mol|
|Substance Registry:||FDA UNII|
|Safety Summary:||Laboratory Chemical Safety Summary (LCSS)|
- 2D Structure
- 3D Conformer
- Names and Identifiers
- Chemical and Physical Properties
- Related Records
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- Pharmacology and Biochemistry
- Use and Manufacturing
- Safety and Hazards
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- A two-dimensional representation of the compound
- A three-dimensional representation of the compound. The 3D structure is not experimentally determined, but computed by PubChem. More detailed information on this conformer model is described in the PubChem3D thematic series published in the Journal of Cheminformatics. Read more...
- Record identifiers, synonyms, chemical names, descriptors, etc. Read more...Black Cotton Flag Norwegian Bag Tote Flag Norwegian Shopping tqzvE0Zw
- Descriptors generated from chemical structure input
IUPAC NameWedding Wocharm Design Handbag Ladies Party Bag Clutch Handbags Women Purse White Satin Flower Girly Evening rt0wrChemical name computed from chemical structure that uses International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards. Read more..2-nitrosonaphthalen-1-ol
- International Chemical Identifier (InChI) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard. Read more..InChI=1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H
- International Chemical Identifier hash (InChIKey) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard. Read more..SYUYTOYKQOAVDW-UHFFFAOYSA-N
- Simplified Molecular-Input Line-Entry System (SMILES) computed from chemical structure devoid of isotopic and stereochemical information. Read more..C1=CC=C2C(=C1)C=CC(=C2O)N=O
- A chemical formula is a way of expressing information about the proportions of atoms that constitute a particular chemical compound, using a single line of chemical element symbols and numbers. PubChem uses the Hill system whereby the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms second, and then the number of all other chemical elements in alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically. Sources other than PubChem may include a variant of the formula that is more structural or natural to chemists, for example "H2SO4" for sulfuric acid, rather than the Hill version "H2O4S."
Other IdentifiersFLHT Ladies Leather Wide Handbag Bag Strap Leather Messenger Red Bag Shoulder Backpack ZwBqZT7rImportant identifiers assigned to this chemical substance by authoritative organizations
- A proprietary registry number assigned by the Chemical Abstracts Service (CAS) division of the American Chemical Society (ACS) often used to help describe chemical ingredients. Read more..132-53-6
- A seven-digit regulatory identifier currently assigned by the European Chemicals Agency (ECHA) known as a European Community (EC) number. It is sometimes referred to as an EINECS, ELINCS, or NLP number, which are subsets of an EC number. Read more..
- The NSC number is a numeric identifier for substances submitted to the National Cancer Institute (NCI) for testing and evaluation. It is a registration number for the Developmental Therapeutics Program (DTP) repository. NSC stands for National Service Center.
- A non-proprietary registry number assigned by the U.S. Food and Drug Administration (FDA) known as an UNique Ingredient Identifier (UNII) code. Read more..CC0S5HO41V
- Links to Wikipedia for this record.
Title 2-nitroso-1-naphthol Description chemical compound
- Alternative names for this PubChem Compound record. A compound can have many different names. For example, acetone (CH3C(=O)CH3) is also known as propanone, propan-2-one, or dimethyl ketone. The brand name of a product is commonly used to indicate the primary chemical ingredient(s) in the product (e.g., Tylenol, a common pain killer, is often used for acetaminophen, its active ingredient). Another example of common synonyms is record identifiers used in different data collections, such as Chemical Abstract Service (CAS) registry numbers, FDA UNII (Unique Ingredient Identifiers), and many others. All these various names and identifiers that designate this compound are organized under the Synonyms section. Read more...
- Medical Subject Heading (MeSH) names or identifiers matching this PubChem Compound record. The matching between the MeSH and compound records is performed by name matching (i.e., identical common names). Read more...2-nitroso-1-naphthol
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- HSDB 5477
- Naphthalenol, nitroso-
- NSC 5034
- EINECS 205-064-5
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- 4-07-00-02418 (Beilstein Handbook Reference)
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Chemical and Physical PropertiesOut Cream Soft Blousey Shoulder Ladies Night Teal BAG Brown Clutch LEATHER Handbag byChemical and physical properties such as melting point, molecular weight, etc.
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
- Property data related to spectroscopyIR: 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
- Types of ultraviolet spectroscopy.
Ultraviolet Spectroscopy: 1 of 1 (UV-VIS Spectra) CopyrightEvening ME68025 Party Women's Envelope Glitter Bag Black Clutch Ladies Diamante Handbag PxqSwpY44 Copyright © 2008-2018 Bio-Rad Laboratories, Inc. All Rights Reserved. Thumbnail
- Infrared spectroscopy (IR spectroscopy) is the spectroscopy that deals with the infrared region of the electromagnetic spectrum.
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
- 1D NMR Spectra data or Linking.
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
- Mass spectrometry (MS or mass spec) is a technique to determine molecular structure through ionization and fragmentation of the parent compound into smaller components.
- Related compounds/substances information based on the similar structure, annotations, etc.
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Related CompoundsIds Wallet Card Leather of 10 Bifold NWT Man’s Change Billfold 3 Lot Purse 3 2 axPUwpqwACompound records closely associated to this record. Read more..
Same Tautomer Simple Pink Women's Fashion Shoulder Tote Crossbody Bag Bag Wild Bag BZCxUCq Same Parent, Tautomer 18 records Same Parent, Exact 15 records Mixtures, Components, and Neutralized Forms 22 records Similar Compounds 96 records Similar Conformers 8514 records
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- A list of chemical vendors that sell this compound. Each vendor may have multiple products containing the same chemical, but different in various aspects, such as amount and purity. For each product, the external identifier used to locate the product on the vendor's website is provided under the Purcharsable Chemical column, and clicking this identifier directs you to the vendor's website. The information on the product provided by the vendor to PubChem can be accessed at the Summary page of the corresponding PubChem Substance ID (SID). Note that the order of chemical vendors on the list is randomized, and that PubChem do not endorse any of the vendors.
- Pharmacology and biochemistry information related to this record
- Metabolism/Metabolites information related to the recordPARTIALLY 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)
- The use and manufacture of the chemical and related information
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- U.S. Production(1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.SRI
(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.SRI
- Information regarding U.S. Imports(1979) No DataSRI
(1981) No DataSRI
- Information regarding U.S. Exports(1979) No DataSRI
(1981) No DataSRI
- This section contains laboratory methods how to identify the chemical and more.
- BAG Teal Clutch Soft Blousey Ladies Out LEATHER Brown Night by Cream Handbag Shoulder Analytic Laboratory Methods for the sample analysisTHE 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)
- Safety and hazards information, properties, management techniques, reactivities and incompatibilities, first aid treatments, and more.
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- GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is a United Nations system to identify hazardous chemicals and to inform users about these hazards. GHS has been adopted by many countries around the world and is now also used as the basis for international and national transport regulations for dangerous goods. The GHS hazard statements, class categories, pictograms, signal words, and the precautionary statements can be found here.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.)
- Accidental release measures lists emergency procedures; protective equipment; proper methods of containment and cleanup.
- Procedures for cleanupA 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)
- Toxicity information related to this record, includes routes of exposure; related symptoms, acute and chronic effects; numerical measures of toxicity.
- Toxicological Information
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ChemIDplus Chemical Information Classificationhttps://chem.sis.nlm.nih.gov/chemidplus/chemidheavy.jsp
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Literature references related to scientific contents from Springer Nature journals and books. Read more ...
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International Patent Classificationhttp://www.wipo.int/classifications/ipc/