cis-Stilbene oxide - ≥97% , CAS No.1689-71-0

CAS: 1689-71-0 Cat. No.: C468824 Fórmula: C₁₄H₁₂O Peso molecular: 196.24 Beilstein Registry Number: 82737

GRADE & PURITY ≥97%

Synonyms

NSC 133513 | Sodium 4-(4-chloro-o-tolyloxy)butyrate | 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1) | UNII-GIX80CN6Z7 | cis-Stilbene oxide, 97% | Q27121646 | cis-Stilbene oxide | Mandelic acid sodium | NSC-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

NSC 133513 | Sodium 4-(4-chloro-o-tolyloxy)butyrate | 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1) | UNII-GIX80CN6Z7 | cis-Stilbene oxide, 97% | Q27121646 | cis-Stilbene oxide | Mandelic acid sodium | NSC-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528776497
• Sorrisos canónicos: C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3
• IUPAC Name: (2R,3S)-2,3-diphenyloxirane
• InChIKey: ARCJQKUWGAZPFX-OKILXGFUSA-N
• INCHI: 1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
• SMILES isoméricas: C1=CC=C(C=C1)[C@H]2[C@H](O2)C3=CC=CC=C3
• Peso molecular: 196.24
• Beilstein: 82737
• Reaxy-Rn: 82737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82737&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzene and substituted derivatives Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Benzenoid - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Diphenyl ethers, biphenyls, dibenzyls and stilbenes

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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 228.2 °F - closed cup
• Ponto de inflamação (°C): 109 °C - closed cup
• Ponto de fusão (°C): 38-40℃ (lit.)
• Peso molecular: 196.240 g/mol
• XLogP3: 2.900
• 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: 12.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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