3-Nitrophenol - indicator , CAS No.554-84-7

CAS: 554-84-7 Cat. No.: N432900 Fórmula: C₆H₅NO₃ Peso molecular: 139.11 Beilstein Registry Number: 1907946 Número EC: 209-073-5

GRADE & PURITY Indicator

Synonyms

3-Nitrophenol, purum, >=98.0% (HPLC) | AKOS000119831 | Phenol, 3-nitro- | STK290830 | Tox21_200022 | AKOS024268500 | SR-1C3 | BIDD:ER0534 | N-3595 | M-NITROPHENOL | Z57160187 | CAS-554-84-7 | 3-Hydroxynitrobenzene | NSC 1551 | 1-Hydroxy-3-nitrobenzene | N

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

3-Nitrophenol, purum, >=98.0% (HPLC) | AKOS000119831 | Phenol, 3-nitro- | STK290830 | Tox21_200022 | AKOS024268500 | SR-1C3 | BIDD:ER0534 | N-3595 | M-NITROPHENOL | Z57160187 | CAS-554-84-7 | 3-Hydroxynitrobenzene | NSC 1551 | 1-Hydroxy-3-nitrobenzene | N

Especificaciones y pureza

indicator

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Indicador

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)O)[N+](=O)[O-]
• IUPAC Name: 3-nitrophenol
• InChIKey: RTZZCYNQPHTPPL-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
• Isómeros SMILES: C1=CC(=CC(=C1)O)[N+](=O)[O-]
• WGK Alemania: 3
• RTECS: SM1925000
• Número ONU: 1663
• Grupo de embalaje: III
• Peso molecular: 139.11
• Beilstein: 1907946
• Reaxy-Rn: 1907946
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• External Descriptors: an aromatic compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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MIA PaCa-2 (5949 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Bacillus subtilis (32866 Activities)

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L1210 (27553 Activities)

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Colon (26 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: insoluble 13.5g/L
• Punto de ebullición (°C): 194°C
• Punto de fusión (°C): 96-97°C
• Peso molecular: 139.110 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What does indicator mean?

indicator is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. indicator is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 554-84-7, the molecular formula is C6H5NO3, and the molecular weight is 139.11 g/mol. InChIKey RTZZCYNQPHTPPL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.