Diphenylacetic acid - ≥98% , CAS No.117-34-0

CAS: 117-34-0 Cat. No.: D106404 Formule: C₁₄H₁₂O₂ Poids moléculaire: 212.24 Beilstein Registry Number: 1910978 Numéro CE: 204-185-0

GRADE & PURITY ≥98%

Synonyms

Diphenylmethane-alpha-carboxylic Acid | HMS2270K07 | BRN 1910978 | D0869 | FT-0625249 | UNII-658NCZ0NKO | diphenyl acetic acid | CHEBI:41967 | DB03588 | Q27094513 | 2,2-diphenylacetic acid | 2,2-diphenyl-acetic acid | Oprea1_633306 | SR-01000389184 | PYHX

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Diphenylmethane-alpha-carboxylic Acid | HMS2270K07 | BRN 1910978 | D0869 | FT-0625249 | UNII-658NCZ0NKO | diphenyl acetic acid | CHEBI:41967 | DB03588 | Q27094513 | 2,2-diphenylacetic acid | 2,2-diphenyl-acetic acid | Oprea1_633306 | SR-01000389184 | PYHX

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488180754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180754
• Sourires canoniques: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
• IUPAC Name: 2,2-diphenylacetic acid
• InChIKey: PYHXGXCGESYPCW-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
• Isomères SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
• WGK Allemagne: 2
• RTECS: AH2515000
• Poids moléculaire: 212.24
• Beilstein: 1910978
• Reaxy-Rn: 1910978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910978&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: monocarboxylic acid

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 (non humaines)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water(0.13g/L).
• Point d'ébullition (°C): 195°/25mm
• Point de fusion (°C): 146°C
• Poids moléculaire: 212.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 207.000
• 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?

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 117-34-0, the molecular formula is C14H12O2, and the molecular weight is 212.24 g/mol. InChIKey PYHXGXCGESYPCW-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.