Ethyl dibromoacetate - ≥98% , CAS No.617-33-4

CAS: 617-33-4 Cat. No.: E331036 Summenformel: C₄H₆Br₂O₂ Molekulargewicht: 245.9 EG-Nummer: 210-510-7

QUALITÄT & REINHEIT ≥98%

Synonyms

Acetic acid, dibromo-, ethyl ester | U57B34JKE5 | MFCD00041718 | AKOS028108567 | SY026437 | ethyl 2,2-dibromoacetate | E78217 | dibromo-acetic acid ethyl ester | EN300-6481078 | ethyldibromoacetate | SCHEMBL297369 | EINECS 210-510-7 | NSC8830 | NSC-8830 |

Storage

Room temperature

Shipped In

Normal

Übersicht

Application：

Ethyl dibromoacetate can be used to produce diphenoxy-acetic acid ethyl ester. It is used in organic synthesis.

Spezifikationen

Synonyme

Acetic acid, dibromo-, ethyl ester | U57B34JKE5 | MFCD00041718 | AKOS028108567 | SY026437 | ethyl 2,2-dibromoacetate | E78217 | dibromo-acetic acid ethyl ester | EN300-6481078 | ethyldibromoacetate | SCHEMBL297369 | EINECS 210-510-7 | NSC8830 | NSC-8830 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508812186

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812186

Kanonisches Lächeln

CCOC(=O)C(Br)Br

IUPAC Name

ethyl 2,2-dibromoacetate

InChIKey

NIJGVVHCUXNSLL-UHFFFAOYSA-N

INCHI

1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Isomere SMILES

CCOC(=O)C(Br)Br

Molekulargewicht

245.9

Reaxy-Rn

1749091

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749091&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in hexane, ether, CH2Cl2, acetone, EtOAc, ethanol.
• Brechungsindex: 1.4990
• Siedepunkt (°C): 76-78° C at 12 mmHg
• Molekulargewicht: 245.900 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 245.871 Da
• Monoisotopic Mass: 243.873 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.100
• 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