4-(Phenylazo)phenol - ≥97% , CAS No.1689-82-3

CAS: 1689-82-3 Cat. No.: P132170 Formula: C₁₂H₁₀N₂O Molecular Weight: 198.23 Beilstein Registry Number: 16(4)159 EC Number: 216-880-6 PubChem CID: 15529

GRADE & PURITY ≥97%

Synonyms

4-Phenylazophenol | p-Benzeneazophenol | DTXSID3022160 | JTSBGMZPPPULTA-UHFFFAOYSA-N | UNII-VX4306NSH1 | DTXSID70942923 | HMS2884D14 | p-(Benzeneazo)phenol | Solvent Yellow 7 | NSC3177 | NSC-3177 | 4-Phenylazophenol, 98% | BEYOBVMPDRKTNR-BUHFOSPRSA-N | 4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Phenylazophenol | p-Benzeneazophenol | DTXSID3022160 | JTSBGMZPPPULTA-UHFFFAOYSA-N | UNII-VX4306NSH1 | DTXSID70942923 | HMS2884D14 | p-(Benzeneazo)phenol | Solvent Yellow 7 | NSC3177 | NSC-3177 | 4-Phenylazophenol, 98% | BEYOBVMPDRKTNR-BUHFOSPRSA-N | 4-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

528761035

Canonical Smiles

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)O

IUPAC Name

4-phenyldiazenylphenol

InChIKey

BEYOBVMPDRKTNR-UHFFFAOYSA-N

INCHI

1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)O

RTECS

SM8300000

PubChem CID

15529

Molecular Weight

198.23

Beilstein

16(4)159

Reaxy-Rn

957569

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

• Solubility: Insoluble in water; Degree of Solubility in water: 90 mg/l 20 °C; Very soluble in Ether,Alcohol; Soluble in Acetone,Benzene
• Boil Point(°C): 230 °C/20 mmHg
• Melt Point(°C): 153 °C
• Molecular Weight: 198.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.079 Da
• Monoisotopic Mass: 198.079 Da
• Topological Polar Surface Area: 45.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 204.000
• 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