2-Bromo(1,2-13C2)ethanol

Base Information

• Chemical Name: 2-Bromo(1,2-13C2)ethanol
• CAS No.: 84508-51-0
• Molecular Formula: C₂H₅BrO
• Molecular Weight: 126.943
• European Community (EC) Number: 685-824-4
• DSSTox Substance ID: DTXSID10493929
• Wikidata: Q82340936
• Mol file: 84508-51-0.mol

Synonyms:84508-51-0;2-Bromo(1,2-13C2)ethanol;2-Bromoethanol(1,2-13c2);DTXSID10493929;2-Bromo(~13~C_2_)ethan-1-ol;2-Bromoethanol-13C2, 99 atom % 13C

Chemical Property of 2-Bromo(1,2-13C2)ethanol

Chemical Property:

• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 56-57 °C/20 mmHg(lit.)
• Flash Point: 113 °C
• PSA: 20.23000
• Density: 1.791 g/mL at 25 °C(lit.)
• LogP: 0.37360
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.95909
• Heavy Atom Count: 4
• Complexity: 10

Purity/Quality:

98% ^*data from raw suppliers

2-Bromoethanol-13C2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)O
• Isomeric SMILES: [13CH2]([13CH2]Br)O
• Uses: 2-Bromoethanol-13C2, is the labeled analogue of 2-Bromoethanol (B684735), an widely used intermediate in organic synthesis.

Technology Process of 2-Bromo(1,2-13C2)ethanol

There total 1 articles about 2-Bromo(1,2-13C2)ethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

ethylene glycol-13C2 (104700-12-1) → [1,2-13C2]2-bromoethanol (84508-51-0)

Guidance literature:

With phosphorus tribromide; at 90 ℃; for 6h; Inert atmosphere;

DOI:10.1002/jlcr.3877

upstream raw materials:

ethylene glycol-¹³C₂