3-Nitrophenylboronic acid L-tartaric acid ester - ≥95% , CAS No.467443-01-2

CAS: 467443-01-2 Cat. No.: N498873 Peso molecular: 280.98 PubChem CID: 11460197

GRADE & PURITY ≥95%

Synonyms

467443-01-2|(4R,5R)-2-(3-nitrophenyl)-1,3,2-dioxaborolane-4,5-dicarboxylic Acid|2-(3-Nitrophenyl)-1,3,2-dioxaborolane-4R,5R-dicarboxylic acid|3-Nitrophenylboronic acid L-tartaric acid ester|L-TarB-NO2|SCHEMBL3226509|DTXSID70466639|1,3,2-Dioxaborolane-4,5-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

467443-01-2 | (4R, 5R)-2-(3-nitrophenyl)-1, 3, 2-dioxaborolane-4, 5-dicarboxylic Acid | 2-(3-Nitrophenyl)-1, 3, 2-dioxaborolane-4R, 5R-dicarboxylic acid | 3-Nitrophenylboronic acid L-tartaric acid ester | L-TarB-NO2 | SCHEMBL3226509 | DTXSID70466639 | 1, 3, 2-Dioxaborolane-4, 5-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)C(=O)O)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]
• IUPAC Name: (4R,5R)-2-(3-nitrophenyl)-1,3,2-dioxaborolane-4,5-dicarboxylic acid
• InChIKey: DKYPDMHYDHHGRL-HTQZYQBOSA-N
• INCHI: 1S/C10H8BNO8/c13-9(14)7-8(10(15)16)20-11(19-7)5-2-1-3-6(4-5)12(17)18/h1-4,7-8H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
• Isómeros SMILES: B1(O[C@H]([C@@H](O1)C(=O)O)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]
• WGK Alemania: 3
• PubChem CID: 11460197
• Peso molecular: 280.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Dicarboxylic acids and derivatives Boronic acid esters Dioxaborolanes Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Oxacyclic compounds Organic metalloid salts Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Organometalloid compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Dicarboxylic acid or derivatives - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - C-nitro compound - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic metalloid salt - Carbonyl group - Organic metalloid moeity - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): 1.4 °F
• Punto de inflamación (°C): -17 °C
• Punto de ebullición (°C): 66° C
• Peso molecular: 280.990 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 281.034 Da
• Monoisotopic Mass: 281.034 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 402.000
• 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

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