Benjoim - ≥98% , CAS No.119-53-9

CAS: 119-53-9 Cat. No.: B100909 Fórmula: C₁₄H₁₂O₂ Peso molecular: 212.24 Beilstein Registry Number: 391839 Número CE: 204-331-3

GRADE & PURITY ≥98%

Synonyms

.alpha.-Hydroxybenzyl phenyl ketone | AC-11139 | FEMA 2132 | NCGC00091396-05 | Wy 42956 | a-Hydroxy-a-phenylacetophenone | Benzoin (VAN) | Benzoin 100 microg/mL in Acetonitrile | Benzoin Zone Refined (number of passes:40) | Benzoin, purified by sublimatio

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

.alpha.-Hydroxybenzyl phenyl ketone | AC-11139 | FEMA 2132 | NCGC00091396-05 | Wy 42956 | a-Hydroxy-a-phenylacetophenone | Benzoin (VAN) | Benzoin 100 microg/mL in Acetonitrile | Benzoin Zone Refined (number of passes:40) | Benzoin, purified by sublimatio

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488180775
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180775
• Sorrisos canónicos: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
• IUPAC Name: 2-hydroxy-1,2-diphenylethanone
• InChIKey: ISAOCJYIOMOJEB-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
• SMILES isoméricas: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
• WGK Alemanha: 2
• RTECS: DI1590000
• Peso molecular: 212.24
• Beilstein: 391839
• Reaxy-Rn: 391839
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=391839&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes
      • Subclass Benzoins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Benzoins
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoins
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Acyloins Alpha-hydroxy ketones Secondary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Acyloin - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
• External Descriptors: benzoin

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

Alvos associados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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CES2 Tchem Carboxylesterase 2 (583 Activities)

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

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CCF-STTG1 (114 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Alvos associados (não humanos)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Ponto de inflamação (°F): 338 °F
• Ponto de inflamação (°C): 181℃
• Ponto de ebulição (°C): 334°C
• Ponto de fusão (°C): 137°C
• Peso molecular: 212.240 g/mol
• XLogP3: 2.100
• 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: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 119-53-9, the molecular formula is C14H12O2, and the molecular weight is 212.24 g/mol. InChIKey ISAOCJYIOMOJEB-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.