Bis(4-nitrophenyl) Carbonate - ≥97.0%(HPLC) , CAS No.5070-13-3

CAS: 5070-13-3 Cat. No.: B137618 Peso molecular: 304.21 Beilstein Registry Number: 6(3)828 Número EC: 225-775-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

Carbonic Acid Bis(4-nitrophenyl) Ester | Bis(p-nitrophenyl) carbonate | Bis(4-nitrophenyl)carbonate | p,p'-Dinitrodiphenylcarbonate | Carbonic acid, bis(4-nitrophenyl) ester | 4,4'-Dinitrodiphenyl carbonate | Carbonic acid, bis(p-nitrophenyl) ester

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Usually used as reagent for the preparation of activated 4-nitrophenyl esters of N-protected amino acids, the synthesis of 4-nitrophenyl active esters of amino acids.And also used in the preparation of symmetrical and unsymmetrical ureas.

Application：

Reagent for the preparation of activated 4-nitrophenyl esters of N-protected amino acids.
Reagent for the synthesis of 4-nitrophenyl active esters of amino acids. Used in the preparation of symmetrical and unsymmetrical ureas.

Specifications

Sinónimos

Carbonic Acid Bis(4-nitrophenyl) Ester | Bis(p-nitrophenyl) carbonate | Bis(4-nitrophenyl)carbonate | p, p'-Dinitrodiphenylcarbonate | Carbonic acid, bis(4-nitrophenyl) ester | 4, 4'-Dinitrodiphenyl carbonate | Carbonic acid, bis(p-nitrophenyl) ester

Especificaciones y pureza

≥97.0%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488185617
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185617
• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: bis(4-nitrophenyl) carbonate
• InChIKey: ACBQROXDOHKANW-UHFFFAOYSA-N
• INCHI: 1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 304.21
• Beilstein: 6(3)828
• Reaxy-Rn: 1892897
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1892897&ln=

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: Phenoxy compounds Nitroaromatic compounds Carbonic acid diesters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Carbonic acid diester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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

• Solubilidad: Soluble in chloroform and tetrahydrofuran.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 142 °C
• Peso molecular: 304.210 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 304.033 Da
• Monoisotopic Mass: 304.033 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 377.000
• 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

Referencias

1. Haimei Wu, Shuo Xu, Kaiwen Lin, Jin Xu, Datian Fu.  (2023)  Acidity-activatable dynamic halloysite nanotubes as a drug delivery system for efficient antitumor therapy.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2023.104208]

2. Datian Fu, Yan Wang, Jin Xu, Haimei Wu.  (2022)  Hydrazone modified nanoscale metal-organic frameworks as pH responsive nanoplatforms for cancer therapy.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2022.123029]