Diethyl (4-Bromophenyl)phosphonate - ≥98% , CAS No.20677-12-7

CAS: 20677-12-7 Cat. No.: D399777 Formula: C₁₀H₁₄BrO₃P Peso molecolare: 293.10

GRADE & PURITY ≥98%

Synonyms

BCP22523 | FT-0734666 | 1-M-TOLYL-1-TOSYLMETHYLISOCYANIDE | WBJRWCXJMRZDPA-UHFFFAOYSA-N | MFCD00769296 | diethyl (4-bromophenyl)phosphonate | SCHEMBL3364776 | (4-Bromophenyl)phosphonic Acid Diethyl Ester | Phosphonic acid, P-(4-bromophenyl)-, diethyl este

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

BCP22523 | FT-0734666 | 1-M-TOLYL-1-TOSYLMETHYLISOCYANIDE | WBJRWCXJMRZDPA-UHFFFAOYSA-N | MFCD00769296 | diethyl (4-bromophenyl)phosphonate | SCHEMBL3364776 | (4-Bromophenyl)phosphonic Acid Diethyl Ester | Phosphonic acid, P-(4-bromophenyl)-, diethyl este

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508806570
• Sorrisi canonici: CCOP(=O)(C1=CC=C(C=C1)Br)OCC
• IUPAC Name: 1-bromo-4-diethoxyphosphorylbenzene
• InChIKey: WBJRWCXJMRZDPA-UHFFFAOYSA-N
• INCHI: 1S/C10H14BrO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
• Isomeri SMILES: CCOP(=O)(C1=CC=C(C=C1)Br)OCC
• Peso molecolare: 293.10
• Reaxy-Rn: 2941122
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941122&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Phosphonic acid diesters Phosphonic acid esters Aryl bromides Organophosphorus compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phosphonic acid diester - Bromobenzene - Phosphonic acid ester - Aryl halide - Aryl bromide - Organophosphonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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: 1.53
• Punto di infiammabilità (°C): 150 °C
• Punto di ebollizione (°C): 120 °C/0.4 mmHg
• Peso molecolare: 293.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 291.986 Da
• Monoisotopic Mass: 291.986 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• 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