CHLOROACETIC-2-13C ACID

Base Information

• Chemical Name: CHLOROACETIC-2-13C ACID
• CAS No.: 1633-47-2
• Molecular Formula: C₂H₃ClO₂
• Molecular Weight: 96.4756
• Mol file: 1633-47-2.mol

Synonyms:Acetic-2-13Cacid, chloro- (7CI)

Chemical Property of CHLOROACETIC-2-13C ACID

Chemical Property:

• Melting Point: 60-63 °C(lit.)
• Refractive Index: 1.437
• Boiling Point: 189 °C(lit.)
• Flash Point: 126℃
• PSA: 37.30000
• Density: 1.596 g/mL
• LogP: 0.30980

Purity/Quality:

97% ^*data from raw suppliers

Chloroacetic acid-2-13C 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 23/24/25-34-50
• Safety Statements: 22-26-36/37/39-45-63-61

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chloroacetic Acid-C13 is a useful reagent in the preparation of carbon-13-labeled MON 37500; a sulfonylurea wheat herbicide.

Technology Process of CHLOROACETIC-2-13C ACID

There total 2 articles about CHLOROACETIC-2-13C ACID 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) → [13C2]-chloroacetic acid (1633-47-2,1839-15-2)

Guidance literature:

With potassium permanganate; thionyl chloride; sulfuric acid; sodium chloride; at 100 ℃; Inert atmosphere;

Reference yield:

[1,2-13C2]acetic acid (16651-47-1) → 13C-dichloroacetic acid (286367-78-0,173470-70-7) + [13C2]-chloroacetic acid (1633-47-2,1839-15-2)

Guidance literature:

With sulfuryl dichloride; phosphorus pentachloride; acetic anhydride; at 80 ℃; for 24h;

DOI:10.1021/es00008a040

Reference yield:

[13C2]-chloroacetic acid (1633-47-2,1839-15-2) → [13C2]-chloroacetyl chloride (159301-42-5,286367-76-8)

Guidance literature:

With thionyl chloride; at 76 ℃; for 4h;

DOI:10.1021/es950423e

upstream raw materials:

[1,2-13C₂]acetic acid

Downstream raw materials:

[¹³C₂]-chloroacetyl chloride

¹³C-dichloroacetic acid

Refernces

• 1、 -. "Stable isotope13 Method for synthesizing C-labeled dichloroacetic acid (by machine translation)". Paragraph 0022; 0027-0029; 0031-0033. . Retrieved 2020/08/26.