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

CAS: 617-33-4 Cat. No.: E331036 분자식: C₄H₆Br₂O₂ 분자량: 245.9 EC 번호: 210-510-7

등급 & 순도 ≥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

개요

Application：

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

사양

동의어

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 |

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

508812186

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCOC(=O)C(Br)Br

분자량

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
    • 분류 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in hexane, ether, CH2Cl2, acetone, EtOAc, ethanol.
• 굴절률: 1.4990
• 끓는점(°C): 76-78° C at 12 mmHg
• 분자량: 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