Ethyl bromoacetate-2-13C

Base Information

• Chemical Name: Ethyl bromoacetate-2-13C
• CAS No.: 85539-84-0
• Molecular Formula: C4H7BrO2
• Molecular Weight: 167.991
• European Community (EC) Number: 693-110-9
• DSSTox Substance ID: DTXSID80449998
• Wikidata: Q82269556
• Mol file: 85539-84-0.mol

Synonyms:Ethyl bromoacetate-2-13C;85539-84-0;ethyl bromoacetate-2-13c, 99 atom % 13c;SCHEMBL1332025;DTXSID80449998;AKOS015915785

Chemical Property of Ethyl bromoacetate-2-13C

Chemical Property:

• Refractive Index: n20/D 1.451(lit.)
• Boiling Point: 159 °C(lit.)
• Flash Point: 118 °F
• PSA: 26.30000
• Density: 1.515 g/mL at 25 °C
• LogP: 0.94440
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.96630
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

98% ^*data from raw suppliers

Ethyl Bromoacetate-2-13C ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 26-45-7/9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CBr
• Isomeric SMILES: CCOC(=O)[13CH2]Br
• Uses: ETHYL BROMOACETATE-2-13C is used in the synthesis of metabolites of carcinogenic PAHs. Used in the preparation of steroidal antiestrogens through cyclic condensation. A reactant in the preparation of antimicrobial and antioxidant coumarinyloxymethyl-thiadiazolone. Isotope labelled Ethyl Bromoacetate, is used in the synthesis of metabolites of carcinogenic PAHs. Used in the preparation of steroidal antiestrogens through cyclic condensation. A reactant in the preparation of antimicrobial and antioxidant coumarinyloxymethyl-thiadiazolone.