4,4'-Dihydroxyazobenzene - ≥98%(HPLC) , CAS No.2050-16-0

CAS: 2050-16-0 Cat. No.: D154936 분자식: C₁₂H₁₀N₂O₂ 분자량: 214.22 EC 번호: 622-644-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS003619052 | Phenol, 4,4'-(1,2-diazenediyl)bis- | Q27277636 | F4YLC7I7DN | WKODVHZBYIBMOC-UHFFFAOYSA-N | CAA05016 | UNII-F4YLC7I7DN | p,p'-Dihydroxyazobenzene | 4,4-Dihydroxyazobenzene | AKOS028112956 | MFCD00045778

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

AKOS003619052 | Phenol, 4,4'-(1,2-diazenediyl)bis- | Q27277636 | F4YLC7I7DN | WKODVHZBYIBMOC-UHFFFAOYSA-N | CAA05016 | UNII-F4YLC7I7DN | p,p'-Dihydroxyazobenzene | 4,4-Dihydroxyazobenzene | AKOS028112956 | MFCD00045778

사양 및 순도

≥98%(HPLC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

488187248

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187248

정식 스마일

C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)O

IUPAC Name

4-[(4-hydroxyphenyl)diazenyl]phenol

InChIKey

WKODVHZBYIBMOC-UHFFFAOYSA-N

INCHI

1S/C12H10N2O2/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(16)8-4-10/h1-8,15-16H

이성체 SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)O

분자량

214.22

Reaxy-Rn

958202

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=958202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caco-2 (12174 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 녹는점(°C): 215 °C(dec.)
• 분자량: 214.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.074 Da
• Monoisotopic Mass: 214.074 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 205.000
• 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