acetyl-2-13C chloride

Base Information

• Chemical Name: acetyl-2-13C chloride
• CAS No.: 14770-40-2
• Molecular Formula: C2H3 Cl O
• Molecular Weight: 79.51
• European Community (EC) Number: 686-069-3
• Nikkaji Number: J673.541J
• Mol file: 14770-40-2.mol

Synonyms:14770-40-2;acetyl-2-13C chloride;Acetyl -2-13C chloride;ACETYL CHLORIDE (2-13C);Acetyl chloride(2-13c);Acetyl -2-13C chloride, 99 atom % 13C;J-008399

Chemical Property of acetyl-2-13C chloride

Chemical Property:

• Melting Point: -112 °C(lit.)
• Refractive Index: n20/D 1.389(lit.)
• Boiling Point: 52 °C(lit.)
• Flash Point: 40 °F
• PSA: 17.07000
• Density: 1.118 g/mL at 25 °C
• LogP: 0.77170
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 78.9905972
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

99% ^*data from raw suppliers

Acetyl-2-13C Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-43-45-9

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of acetyl-2-13C chloride

There total 2 articles about acetyl-2-13C chloride 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:

(2-13C)acetic acid (1563-80-0) → <2-(13)C>acetyl chloride (14770-40-2)

Guidance literature:

With thionyl chloride; at 60 ℃; for 3h; Temperature;

Reference yield:

→ <2-(13)C>acetyl chloride (14770-40-2)

Guidance literature:

(2-¹³C)Natrium-acetat, Benzoylchlorid;

Reference yield: 100.0%

<2-(13)C>acetyl chloride (14770-40-2) + 4-Ethoxyaniline (156-43-4) → ([2-13C]acetyl)phenacetin

Guidance literature:

In benzene; at 5 ℃; for 0.166667h;

DOI:10.1248/cpb.44.1258

upstream raw materials:

(2-¹³C)acetic acid

Downstream raw materials:

3-[1,2-13C₂]acetoxy-4-methoxybenzaldehyde

acetophenone-β-¹³C

[¹³C₇]-2',5'-dichloroacetophenone

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