85539-84-0

Basic information

• Product Name: ETHYL BROMOACETATE-2-13C
• Synonyms: ETHYL BROMOACETATE-2-13C;ETHYL BROMOACETATE-2-13C, 99 ATOM % 13C;13C Labeled acrylic acid;13C Labeled ethyl bromoacetate;PQJJJMRNHATNKG-LBPDFUHNSA-N
• CAS NO: 85539-84-0
• Molecular Formula: C₄H₇BrO₂
• Molecular Weight: 168.01
• Product Categories: Alphabetical Listings;E-F;Stable Isotopes;Isotope Labelled Compounds, Miscellaneous Compounds
• Mol File: 85539-84-0.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 159 °C(lit.)
• Flash Point: 118 °F
• Appearance: /
• Density: 1.515 g/mL at 25 °C
• Refractive Index: n20/D 1.451(lit.)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform, Ethyl Acetate
• CAS DataBase Reference: ETHYL BROMOACETATE-2-13C(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL BROMOACETATE-2-13C(85539-84-0)
• EPA Substance Registry System: ETHYL BROMOACETATE-2-13C(85539-84-0)

Safety Data

• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 26-45-7/9
• RIDADR: UN 1603 6.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1(a)
• PackingGroup: II
• Hazardous Substances Data: 85539-84-0(Hazardous Substances Data)

Usage

Description

ETHYL BROMOACETATE-2-13C is an isotope-labeled organic compound that contains a carbon-13 atom at the 2nd position. It is a derivative of ethyl bromoacetate, which is a halogenated ester of acetic acid. ETHYL BROMOACETATE-2-13C is used as a reagent in various chemical reactions and synthesis processes.

Uses

Used in Pharmaceutical Industry:
ETHYL BROMOACETATE-2-13C is used as a reactant in the synthesis of metabolites of carcinogenic Polycyclic Aromatic Hydrocarbons (PAHs). This helps in understanding the metabolic pathways and mechanisms of these harmful compounds, which can aid in the development of treatments and preventive measures against PAH-induced cancers.
Used in Steroid Research:
In the field of steroid research, ETHYL BROMOACETATE-2-13C is used as a reactant in the preparation of steroidal antiestrogens through cyclic condensation. This process contributes to the development of new drugs and therapies targeting hormonal imbalances and related conditions.
Used in Antimicrobial and Antioxidant Compounds Synthesis:
ETHYL BROMOACETATE-2-13C is also used as a reactant in the preparation of coumarinyloxymethyl-thiadiazolone, a compound with antimicrobial and antioxidant properties. This application is particularly relevant in the development of new antimicrobial agents to combat drug-resistant bacteria and in the creation of antioxidants for various industrial and medical applications.

Downstream Products

• 82426-28-6 ethyl [2-¹³C]-2-(diethylphosphono)acetate 
• 1332617-78-3 diethyl 2-phenylsuccinate-3⁽¹³⁾C 
• 135052-95-8 (2-13C)<(Ethoxycarbonyl)methylene>triphenylphosphorane