4-Hydroxy-4'-nitrobiphenyl - ≥98% , CAS No.3916-44-7

CAS: 3916-44-7 Cat. No.: H157064 Molecular Weight: 215.21 EC Number: 679-959-8

GRADE & PURITY ≥98%

Synonyms

T72419 | A824435 | 4'-Nitro[1,1'-biphenyl]-4-ol # | 4'-nitro-1,1'-biphenyl-4-ol | FT-0618653 | 4'-hydroxy-(4-nitro biphenyl) | J-802007 | 4'-Nitro-4-biphenylol | NSC-95704 | Oprea1_616792 | EINECS 235-643-8 | NSC 95704 | 4'-nitro-biphenyl-4-ol | 4'-Nitrob

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

T72419 | A824435 | 4'-Nitro[1, 1'-biphenyl]-4-ol # | 4'-nitro-1, 1'-biphenyl-4-ol | FT-0618653 | 4'-hydroxy-(4-nitro biphenyl) | J-802007 | 4'-Nitro-4-biphenylol | NSC-95704 | Oprea1_616792 | EINECS 235-643-8 | NSC 95704 | 4'-nitro-biphenyl-4-ol | 4'-Nitrob

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187985
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187985
• Canonical Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)O)[N+](=O)[O-]
• IUPAC Name: 4-(4-nitrophenyl)phenol
• InChIKey: ZNDJDQOECGBUNK-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO3/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,14H
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)[N+](=O)[O-]
• Molecular Weight: 215.21
• Reaxy-Rn: 1876752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• 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: Biphenyl - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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 - Organic oxide - Organooxygen compound - Organonitrogen compound - 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 biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Melt Point(°C): 207 °C
• Molecular Weight: 215.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.058 Da
• Monoisotopic Mass: 215.058 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 235.000
• 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