Ethyl 1-bromocyclopropanecarboxylate - ≥97% , CAS No.89544-83-2

CAS: 89544-83-2 Cat. No.: E195664 Formule: C₆H₉BrO₂ Poids moléculaire: 193.04

GRADE & PURITY ≥97%

Synonyms

AKOS016008672 | AS-10292 | DTXSID20518839 | A854582 | MFCD01314227 | 1-Bromocyclopropanecarboxylic acid ethyl ester | ETHYL 1-BROMOCYCLOPROPANE-1-CARBOXYLATE | SY024655 | Cyclopropanecarboxylic acid, 1-bromo-, ethyl ester | Ethyl 1-bromocyclopropanecarbox

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

AKOS016008672 | AS-10292 | DTXSID20518839 | A854582 | MFCD01314227 | 1-Bromocyclopropanecarboxylic acid ethyl ester | ETHYL 1-BROMOCYCLOPROPANE-1-CARBOXYLATE | SY024655 | Cyclopropanecarboxylic acid, 1-bromo-, ethyl ester | Ethyl 1-bromocyclopropanecarbox

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CCOC(=O)C1(CC1)Br

IUPAC Name

ethyl 1-bromocyclopropane-1-carboxylate

InChIKey

OZANNKKBYBYGCQ-UHFFFAOYSA-N

INCHI

1S/C6H9BrO2/c1-2-9-5(8)6(7)3-4-6/h2-4H2,1H3

Isomères SMILES

CCOC(=O)C1(CC1)Br

Poids moléculaire

193.04

Reaxy-Rn

4375637

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4375637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids and derivatives
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - 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 homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane 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

• Poids moléculaire: 193.040 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 191.979 Da
• Monoisotopic Mass: 191.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 129.000
• 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