Ethyl bromopyruvate - Moligand™, ≥80% , CAS No.70-23-5

CAS: 70-23-5 Cat. No.: E111180 Formule: C₅H₇BrO₃ Poids moléculaire: 195.01 Beilstein Registry Number: 1760158 Numéro CE: 200-729-6

GRADE & PURITY Moligand™, ≥80%

Synonyms

Ethyl bromopyruvate (>90%) | F0001-1814 | STR00638 | Ethyl bromopyruvate (<90%) | NSC 62182 | ethyl 3-bromo-oxopropanoate | ethyl 3-bromo-2-oxopropanate | 3-bromo-2-oxopropanoic acid, ethyl ester | MFCD00000204 | EINECS 200-729-6 | W-104564 | BP-20640 | B

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Used in a synthesis of thioxothiazolidines from primary amines and carbon disulfide

Specifications

Synonymes

Ethyl bromopyruvate (>90%) | F0001-1814 | STR00638 | Ethyl bromopyruvate (<90%) | NSC 62182 | ethyl 3-bromo-oxopropanoate | ethyl 3-bromo-2-oxopropanate | 3-bromo-2-oxopropanoic acid, ethyl ester | MFCD00000204 | EINECS 200-729-6 | W-104564 | BP-20640 | B

Spécifications et pureté

Moligand™, ≥80%

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.

Grade

Moligand™

Pureté

≥80%

Noms et identifiants

• Pubchem Sid: 508808992
• Sourires canoniques: CCOC(=O)C(=O)CBr
• IUPAC Name: ethyl 3-bromo-2-oxopropanoate
• InChIKey: VICYTAYPKBLQFB-UHFFFAOYSA-N
• INCHI: 1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
• Isomères SMILES: CCOC(=O)C(=O)CBr
• WGK Allemagne: 3
• Poids moléculaire: 195.01
• Beilstein: 1760158
• Reaxy-Rn: 1760158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760158&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Alpha-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-keto acids and derivatives
• Alternative Parents: Alpha-haloketones Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly).
• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.469
• Point d'éclair (°F): 210.2 °F
• Point d'éclair (°C): 98℃
• Point d'ébullition (°C): 98-100 °C/10 mmHg
• Poids moléculaire: 195.010 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.958 Da
• Monoisotopic Mass: 193.958 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 121.000
• 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