3-(4-Methylphenyl)benzaldehyde - ≥97% , CAS No.116470-54-3

CAS: 116470-54-3 Cat. No.: M166177 Formula: C₁₄H₁₂O Peso molecolare: 196.24 Numero EC: 623-237-7

GRADE & PURITY ≥97%

Synonyms

J-003444 | A803620 | 4'-Methyl-biphenyl-3-carbaldehyde | 4'-Methylbiphenyl-3-carbaldehyde | [1,1'-Biphenyl]-3-carboxaldehyde, 4'-methyl- | AMY20775 | BB 0222412 | LS-14278 | 4'-Methyl-[1,1'-biphenyl]-3-carbaldehyde | 4'-methyl[1,1'-biphenyl]-3-carbaldehyd

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-003444 | A803620 | 4'-Methyl-biphenyl-3-carbaldehyde | 4'-Methylbiphenyl-3-carbaldehyde | [1,1'-Biphenyl]-3-carboxaldehyde, 4'-methyl- | AMY20775 | BB 0222412 | LS-14278 | 4'-Methyl-[1,1'-biphenyl]-3-carbaldehyde | 4'-methyl[1,1'-biphenyl]-3-carbaldehyd

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488191813

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191813

Sorrisi canonici

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

IUPAC Name

3-(4-methylphenyl)benzaldehyde

InChIKey

VEEXIHQTCQUWED-UHFFFAOYSA-N

INCHI

1S/C14H12O/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15/h2-10H,1H3

Isomeri SMILES

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

WGK Germania

2

Peso molecolare

196.24

Reaxy-Rn

4386352

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4386352&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoyl derivatives Benzaldehydes Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.6242
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Peso molecolare: 196.240 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.089 Da
• Monoisotopic Mass: 196.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% 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 116470-54-3, the molecular formula is C14H12O, and the molecular weight is 196.24 g/mol. InChIKey VEEXIHQTCQUWED-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.