Bis(p-nitrobenzyl) Phosphate - ≥97% , CAS No.14390-40-0

CAS: 14390-40-0 Cat. No.: B333313 Summenformel: C₁₄H₁₃N₂O₈P Molekulargewicht: 368.24

GRADE & PURITY ≥97%

Synonyms

Bis(p-nitrobenzyl) Phosphate | DTXSID30322626 | NSC401700 | NSC-401700 | Benzenemethanol, hydrogen phosphate (ester) | SCHEMBL5069158 | AKOS030241517 | SMR001875389 | FT-0663348 | Bis(4-nitrobenzyl) hydrogen phosphate | BDBM50466727 | J-007881 | MLS003171

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

A phosphorylating reagent.

Specifications

Synonyme

Bis(p-nitrobenzyl) Phosphate | DTXSID30322626 | NSC401700 | NSC-401700 | Benzenemethanol, hydrogen phosphate (ester) | SCHEMBL5069158 | AKOS030241517 | SMR001875389 | FT-0663348 | Bis(4-nitrobenzyl) hydrogen phosphate | BDBM50466727 | J-007881 | MLS003171

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528770536
• Kanonisches Lächeln: C1=CC(=CC=C1COP(=O)(O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: bis[(4-nitrophenyl)methyl] hydrogen phosphate
• InChIKey: JSPSCIMSQMTXFU-UHFFFAOYSA-N
• INCHI: 1S/C14H13N2O8P/c17-15(18)13-5-1-11(2-6-13)9-23-25(21,22)24-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2,(H,21,22)
• Isomere SMILES: C1=CC(=CC=C1COP(=O)(O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Molekulargewicht: 368.24
• Reaxy-Rn: 2182772
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2182772&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Dialkyl phosphates Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Molekulargewicht: 368.230 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 368.041 Da
• Monoisotopic Mass: 368.041 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 462.000
• 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