3-Phenoxybenzaldehyde - ≥97%(GC) , CAS No.39515-51-0

CAS: 39515-51-0 Cat. No.: P135124 Formule: C₁₃H₁₀O₂ Poids moléculaire: 198.22 Beilstein Registry Number: 8(4)242 Numéro CE: 254-487-1 PubChem CID: 38284

GRADE & PURITY ≥97%(GC)

Synonyms

2ZI2173196 | BCP31636 | DS-0482 | MFCD00003353 | 3-PHENOXYBENZALDEHYDE | 3-Phenoxy-benzaldehyde | 3-Phenoxybenzaldehyde-d5 | MRLGCTNJRREZHZ-UHFFFAOYSA- | SCHEMBL98478 | STL363252 | DTXCID808005 | UNII-2ZI2173196 | PHENOXYBENZALDEHYDE, 3- | AC-10909 | BP-1

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Enantioselective autoinduction during asymmetric hydrocyanation of 3-phenoxybenzaldehyde catalyzed by cyclo[(R)-phenylalanyl-(R)-histidyl] has been investigated. It undergoes hydrogenation catalyzed by Au/Pt bimetallic core/shell nanoparticles to yield 3-phenoxyphenyl methanol.

Specifications

Synonymes

2ZI2173196 | BCP31636 | DS-0482 | MFCD00003353 | 3-PHENOXYBENZALDEHYDE | 3-Phenoxy-benzaldehyde | 3-Phenoxybenzaldehyde-d5 | MRLGCTNJRREZHZ-UHFFFAOYSA- | SCHEMBL98478 | STL363252 | DTXCID808005 | UNII-2ZI2173196 | PHENOXYBENZALDEHYDE, 3- | AC-10909 | BP-1

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Type d'action

INHIBITOR

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

488183301

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183301

Sourires canoniques

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O

IUPAC Name

3-phenoxybenzaldehyde

InChIKey

MRLGCTNJRREZHZ-UHFFFAOYSA-N

INCHI

1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H

Isomères SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O

WGK Allemagne

3

RTECS

CU7560200

PubChem CID

38284

Poids moléculaire

198.22

Beilstein

8(4)242

Reaxy-Rn

511662

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Cibles associées (humaines)

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.5960 to 1.6000
• Point d'éclair (°F): 366°F
• Point d'éclair (°C): 186℃
• Point d'ébullition (°C): 184°C/14mmHg
• Point de fusion (°C): 13℃
• Poids moléculaire: 198.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 197.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 39515-51-0, the molecular formula is C13H10O2, and the molecular weight is 198.22 g/mol. InChIKey MRLGCTNJRREZHZ-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.