Acetyl bromide-13C2

Base Information

• Chemical Name: Acetyl bromide-13C2
• CAS No.: 113638-93-0
• Molecular Formula: C₂H₃BrO
• Molecular Weight: 124.927
• European Community (EC) Number: 802-326-6
• DSSTox Substance ID: DTXSID70481741
• Wikidata: Q82317340
• Mol file: 113638-93-0.mol

Synonyms:Acetyl bromide-13C2;113638-93-0;ACETYL-13C2 BROMIDE;SCHEMBL1332091;DTXSID70481741;Acetyl-13c2 bromide,99 atom % 13c;Acetyl bromide-13C2, 99 atom % 13C;J-002999

Chemical Property of Acetyl bromide-13C2

Chemical Property:

• Melting Point: −96 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 75-77 °C(lit.)
• Flash Point: >230 °F
• PSA: 17.07000
• Density: 1.690 g/mL at 25 °C
• LogP: 0.92780
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.94344
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

95% ^*data from raw suppliers

Acetyl bromide-13C2 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 14-34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)Br
• Isomeric SMILES: [13CH3][13C](=O)Br

Technology Process of Acetyl bromide-13C2

There total 2 articles about Acetyl bromide-13C2 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:

[1,2-13C2]acetic acid (16651-47-1) → <1,2-13C2>Acetyl Bromide (113638-93-0)

Guidance literature:

With phosphorus tribromide; at 40 - 50 ℃; for 1h;

DOI:10.1002/hlca.19900730228

Reference yield:

→ <1,2-13C2>Acetyl Bromide (113638-93-0)

Guidance literature:

¹³CH3-¹³COOH, PBr3, 60-65grad, 1 h;

DOI:10.1016/0022-2364(69)90006-7

upstream raw materials:

[1,2-13C₂]acetic acid

Refernces

• 1、 Gray et al.. "". . p. 41,44, 47. Retrieved 1969.