éster dietílico del ácido (1,3-ditian-2-il)fosfónico - ≥93% , CAS No.62999-73-9

CAS: 62999-73-9 Cat. No.: D154902 Peso molecular: 256.31

GRADE & PURITY ≥93%

Synonyms

[1,3]Dithian-2-yl-phosphonic acid diethyl ester | D90248 | doi:10.14272/BGXBJZCFBVTFFP-UHFFFAOYSA-N | D4074 | (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester | MFCD00466704 | AKOS028108829 | Phosphonic acid, 1,3-dithian-2-yl-, diethyl ester | 2-diethoxyph

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

[1, 3]Dithian-2-yl-phosphonic acid diethyl ester | D90248 | doi:10.14272/BGXBJZCFBVTFFP-UHFFFAOYSA-N | D4074 | (1, 3-Dithian-2-yl)phosphonic Acid Diethyl Ester | MFCD00466704 | AKOS028108829 | Phosphonic acid, 1, 3-dithian-2-yl-, diethyl ester | 2-diethoxyph

Especificaciones y pureza

≥93%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥93%

Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(C1SCCCS1)OCC
• IUPAC Name: 2-diethoxyphosphoryl-1,3-dithiane
• InChIKey: BGXBJZCFBVTFFP-UHFFFAOYSA-N
• INCHI: 1S/C8H17O3PS2/c1-3-10-12(9,11-4-2)8-13-6-5-7-14-8/h8H,3-7H2,1-2H3
• Isómeros SMILES: CCOP(=O)(C1SCCCS1)OCC
• Peso molecular: 256.31
• Reaxy-Rn: 1426837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1426837&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Dithianes Dialkylthioethers Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - 1,3-dithiane - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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: Air Sensitive；Moisture sensitive
• Punto de inflamación (°C): 177 °C
• Punto de ebullición (°C): 134°C/0.1mmHg(lit.)
• Punto de fusión (°C): 35 °C
• Peso molecular: 256.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 256.036 Da
• Monoisotopic Mass: 256.036 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 197.000
• 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