2-Bromopropionic-1-13C acid

Base Information

• Chemical Name: 2-Bromopropionic-1-13C acid
• CAS No.: 100900-34-3
• Molecular Formula: C3H5 Br O2
• Molecular Weight: 153.98
• European Community (EC) Number: 664-043-2
• DSSTox Substance ID: DTXSID00583489
• Mol file: 100900-34-3.mol

Synonyms:2-Bromopropionic-1-13C acid;100900-34-3;2-bromo(113C)propanoic acid;DTXSID00583489;2-Bromo(1-~13~C)propanoic acid;2-Bromopropionic acid-1-13C, 99 atom % 13C

Chemical Property of 2-Bromopropionic-1-13C acid

Chemical Property:

• Refractive Index: n20/D 1.4749(lit.)
• Boiling Point: 203 °C(lit.)
• Flash Point: 212 °F
• PSA: 37.30000
• Density: 1.7 g/mL at 25 °C(lit.)
• LogP: 0.85440
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.95065
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99% ^*data from raw suppliers

2-Bromopropionic-1-13Cacid 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-22
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)Br
• Isomeric SMILES: CC([13C](=O)O)Br
• Uses: 2-?Bromopropionic Acid-?1-?13C is used in the preparation of hydroxymethyl butenyl pyrophosphate and it’s carbon-13 labeled isotopic form; a useful intermediate in the deoxyxylulose pathway of isoprenoid biosynthesis.