Diethyl(3-bromopropyl)phosphonate - ≥95.0%(GC) , CAS No.1186-10-3

CAS: 1186-10-3 Cat. No.: D138076 Formula: (C₂H₅O)₂POCH₂CH₂CH₂Br Peso molecolare: 259.08 Numero EC: 805-814-7

GRADE & PURITY ≥95%(GC)

Synonyms

A893087 | AMY42222 | EN300-97141 | NSC 138345 | PEIKTSJIUKYDPC-UHFFFAOYSA-N | 1-[3-bromopropyl(ethoxy)phosphoryl]oxyethane; | 1-bromo-3-diethoxyphosphorylpropane | diethyl 3-bromopropanphosphonate | AS-10528 | Diethyl(3-bromopropyl)phosphonate, 95% | diet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A893087 | AMY42222 | EN300-97141 | NSC 138345 | PEIKTSJIUKYDPC-UHFFFAOYSA-N | 1-[3-bromopropyl(ethoxy)phosphoryl]oxyethane; | 1-bromo-3-diethoxyphosphorylpropane | diethyl 3-bromopropanphosphonate | AS-10528 | Diethyl(3-bromopropyl)phosphonate, 95% | diet

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

528769568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769568

Sorrisi canonici

CCOP(=O)(CCCBr)OCC

IUPAC Name

1-bromo-3-diethoxyphosphorylpropane

InChIKey

PEIKTSJIUKYDPC-UHFFFAOYSA-N

INCHI

1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3

Isomeri SMILES

CCOP(=O)(CCCBr)OCC

WGK Germania

3

Peso molecolare

259.08

Reaxy-Rn

1769728

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769728&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.462
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 94-95 °C/2 mmHg
• Peso molecolare: 259.079 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 258.002 Da
• Monoisotopic Mass: 258.002 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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