Ethyl (2-bromophenyl)acetate - ≥98% , CAS No.2178-24-7

CAS: 2178-24-7 Cat. No.: E588165 Formule: C₁₀H₁₁BrO₂ Poids moléculaire: 243.11 Numéro CE: 681-917-9

GRADE & PURITY ≥98%

Synonyms

(2-Bromo-phenyl)-acetic acid ethyl ester | A878927 | Ethyl 2-Bromophenylacetate | Ethyl 2-bromo-phenylacetate | Ethyl 2-(2-bromophenyl)acetate | ethyl 2-(2-bromophenyl)-acetate | MFCD00051921 | Benzeneacetic acid, 2-bromo-, ethyl ester | J-520586 | DTXSID

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

(2-Bromo-phenyl)-acetic acid ethyl ester | A878927 | Ethyl 2-Bromophenylacetate | Ethyl 2-bromo-phenylacetate | Ethyl 2-(2-bromophenyl)acetate | ethyl 2-(2-bromophenyl)-acetate | MFCD00051921 | Benzeneacetic acid, 2-bromo-, ethyl ester | J-520586 | DTXSID

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508806474
• Sourires canoniques: CCOC(=O)CC1=CC=CC=C1Br
• IUPAC Name: ethyl 2-(2-bromophenyl)acetate
• InChIKey: MZQXAVZPEZUJIJ-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
• Isomères SMILES: CCOC(=O)CC1=CC=CC=C1Br
• Poids moléculaire: 243.11
• Reaxy-Rn: 1953762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953762&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: Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Point de fusion (°C): 35-38℃
• Poids moléculaire: 243.100 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.994 Da
• Monoisotopic Mass: 241.994 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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

Références

1. Gao Dan-Ni, Zhao Yu-Lai, Cai Jing-Yu, Hou Lin-Xi, Xiao Long-Qiang.  (2021)  Reversible Chain Transfer Catalyzed Polymerization with Alkyl Iodides Generated from Alkyl Bromides by in Situ Halogen Exchange.  CHINESE JOURNAL OF POLYMER SCIENCE,  39  (9): (1161-1168).  [PMID:] [10.1007/s10118-021-2611-2]