p-Nitrophenol - ≥99%, contains ~3% water , CAS No.100-02-7

CAS: 100-02-7 Cat. No.: P572406 Formule: C₆H₅NO₃ Poids moléculaire: 139.11 Beilstein Registry Number: 1281877 Numéro CE: 202-811-7

QUALITÉ & PURETÉ ≥99%, contains ~3% water

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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%, contains ~3% water

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488179581

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179581

Sourires canoniques

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

Isomères SMILES

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

Numéro ONU

1663

Groupe d'emballage

III

Poids moléculaire

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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Freely soluble in alcohol, chloroform, ether. Freely soluble in acetone. Slightly soluble in water.
• Sensibilité: Sensitive to light
• Point d'éclair (°C): 169℃
• Point d'ébullition (°C): 279°C
• Point de fusion (°C): 110 - 115 °C
• Poids moléculaire: 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