p-Nitrophenol - technical grade , CAS No.100-02-7

CAS: 100-02-7 Cat. No.: N591132 Formula: C₆H₅NO₃ Peso molecolare: 139.11 Beilstein Registry Number: 1281877 Numero EC: 202-811-7

GRADE & PURITY Technical grade

Synonyms

4-Nitrophenol|p-nitrophenol|100-02-7|Phenol, 4-nitro-|Niphen|Paranitrophenol|4-Hydroxynitrobenzene|p-Hydroxynitrobenzene|Phenol, p-nitro-|para-nitrophenol|Mononitrophenol|Paranitrofenol|Paranitrofenolo|p-Nitrofenol|4-Nitrofenol|RCRA waste number U170|Casw

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

4-Nitrophenol | p-nitrophenol | 100-02-7 | Phenol, 4-nitro- | Niphen | Paranitrophenol | 4-Hydroxynitrobenzene | p-Hydroxynitrobenzene | Phenol, p-nitro- | para-nitrophenol | Mononitrophenol | Paranitrofenol | Paranitrofenolo | p-Nitrofenol | 4-Nitrofenol | RCRA waste number U170 | Casw

Specifiche e purezza

technical grade

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Grado tecnico

Nomi e identificatori

Pubchem Sid

504750443

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750443

Sorrisi canonici

C1=CC(=CC=C1[N+](=O)[O-])O

IUPAC Name

4-nitrophenol

InChIKey

BTJIUGUIPKRLHP-UHFFFAOYSA-N

INCHI

1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

Isomeri SMILES

C1=CC(=CC=C1[N+](=O)[O-])O

Numero UN

1663

Gruppo di imballaggio

III

Peso molecolare

139.11

Beilstein

1281877

Reaxy-Rn

1281877

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281877&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds 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-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
• Descrizione: 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: mononitrophenol

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Sensitive to light
• Punto di infiammabilità (°C): 169℃
• Punto di ebollizione (°C): 279°C
• Punto di fusione (°C): 110 - 115 °C
• Peso molecolare: 139.110 g/mol
• XLogP3: 1.900
• 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: 123.000
• 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

Domande frequenti

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 100-02-7, the molecular formula is C6H5NO3, and the molecular weight is 139.11 g/mol. InChIKey BTJIUGUIPKRLHP-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.