Benzoin - ≥99.5% , CAS No.119-53-9

CAS: 119-53-9 Cat. No.: B100919 分子式: C₁₄H₁₂O₂ 分子量: 212.24 Beilstein Registry Number: 391839 EC番号: 204-331-3

グレード＆純度 ≥99.5%

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

仕様

同義語

.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

仕様と純度

≥99.5%

保管条件

Room temperature

入荷

Normal

純度

≥99.5%

名前と識別子

パブケム・シド

504751665

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751665

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

DI1590000

分子量

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
    • 分類 Stilbenes
      • Subclass Benzoins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in chlorine. Slightly soluble in water, ethanol and ether.
• 感度: Moisture sensitive.
• 引火点（°F）: 338 °F
• 引火点（°C）: 181℃
• 沸点（°C）: 334°C
• 融点（°C）: 137°C
• 分子量: 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

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.