2-Phenylazo-4-methylphenol - ≥98% , CAS No.952-47-6

CAS: 952-47-6 Cat. No.: P160264 분자식: C₁₃H₁₂N₂O 분자량: 212.25 EC 번호: 619-117-9 PubChem CID: 13719

등급 & 순도 ≥98%

Synonyms

(6E)-4-methyl-6-(phenylhydrazono)cyclohexa-2,4-dien-1-one;2-Phenylazo-4-methylphenol | MFCD00045788 | AKOS000114206 | (6E)-4-methyl-6-(phenylhydrazono)cyclohexa-2,4-dien-1-one | C.I. 11850 | 4-METHYL-2-(PHENYLAZO)PHENOL | DTXSID50870816 | 4-Methyl-2-[(E)-

Storage

Room temperature

Shipped In

Normal

사양

동의어

(6E)-4-methyl-6-(phenylhydrazono)cyclohexa-2,4-dien-1-one;2-Phenylazo-4-methylphenol | MFCD00045788 | AKOS000114206 | (6E)-4-methyl-6-(phenylhydrazono)cyclohexa-2,4-dien-1-one | C.I. 11850 | 4-METHYL-2-(PHENYLAZO)PHENOL | DTXSID50870816 | 4-Methyl-2-[(E)-

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181895

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181895

정식 스마일

CC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2

IUPAC Name

4-methyl-2-phenyldiazenylphenol

InChIKey

NJOXSODFMZIZJD-UHFFFAOYSA-N

INCHI

1S/C13H12N2O/c1-10-7-8-13(16)12(9-10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3

이성체 SMILES

CC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2

PubChem CID

13719

분자량

212.25

Reaxy-Rn

958048

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: Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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

화학 및 물리적 특성

• 녹는점(°C): 105 °C
• 분자량: 212.250 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.095 Da
• Monoisotopic Mass: 212.095 Da
• Topological Polar Surface Area: 45.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 236.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 952-47-6, the molecular formula is C13H12N2O, and the molecular weight is 212.25 g/mol. InChIKey NJOXSODFMZIZJD-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.