286367-76-8

Basic information

• Product Name: CHLOROACETYL CHLORIDE-13C2
• Synonyms: CHLOROACETYL CHLORIDE-13C2
• CAS NO: 286367-76-8
• Molecular Formula: C2H2Cl2O
• Molecular Weight: 114.96
• Product Categories: Alphabetical Listings;Biomolecular MS;Chemical Labeling Products;CStable Isotopes;Stable Isotopes
• Mol File: 286367-76-8.mol

Chemical Properties

• Melting Point: -22 °C(lit.)
• Boiling Point: 105-106 °C(lit.)
• Flash Point: 100 °C
• Appearance: /
• Density: 1.443 g/mL at 25 °C
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility: Chloroform
• CAS DataBase Reference: CHLOROACETYL CHLORIDE-13C2(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROACETYL CHLORIDE-13C2(286367-76-8)
• EPA Substance Registry System: CHLOROACETYL CHLORIDE-13C2(286367-76-8)

Safety Data

• Hazard Codes: T,C,N
• Statements: 14-23/24/25-35-48/23-50-29
• Safety Statements: 9-26-36/37/39-45-61-7/8
• RIDADR: UN 1752 6.1/PG 1
• WGK Germany: 3
• Hazardous Substances Data: 286367-76-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
CHLOROACETYL CHLORIDE-13C2 is used as a building block for the synthesis of various chemical compounds. Its application is due to its versatility in forming different chemical structures and its ability to be incorporated into a wide range of molecules.
Used in Pharmaceutical Industry:
CHLOROACETYL CHLORIDE-13C2 is used as a key intermediate for the development of novel drugs. The application reason is its ability to be incorporated into drug molecules, potentially enhancing their properties, such as stability, solubility, and bioavailability.
Used in Research and Development:
CHLOROACETYL CHLORIDE-13C2 is used as a research tool for studying the effects of isotope labeling on chemical reactions and biological processes. The application reason is its unique isotopic composition, which allows researchers to track and analyze the behavior of molecules containing this compound.
Used in Synthesis of Inulin Derivatives:
CHLOROACETYL CHLORIDE-13C2 is used as a reagent for the synthesis of novel Inulin (I666680) derivatives with chlorinated benzene having antifungal activity. The application reason is its ability to react with Inulin to form new derivatives that possess potential antifungal properties, which can be useful in the development of new antifungal agents.

Upstream product

• 1633-47-2 [¹³C₂]-chloroacetic acid 

Relevant articles and documents

Metabolic Study of Stable Isotope Labeled Indolinone Derivative in Hepatocyte Cell by UPLC/Q TOF MS

The aggregation process of α-synuclein (α-syn) is substantial in the pathogenesis of Parkinson's disease. Indolinone derivatives are inhibitors of α-syn aggregates and can be used as PET-based radiotracers for imaging α-syn fibrils. However, no investigations on the metabolism of indolinone derivatives have been reported until now. In the present research, a 13C and 15N isotope labeling strategy was developed to synthesize compound [13C2,15N]-(Z)-1-(4-aminobenzyl)-3-((E)-(3-phenyl)allylidene)indolin-2-one (M0′), which was then used in a study of metabolism in hepatocytes. The metabolites were characterized using accurate mass and characteristic ion measurements. In the metabolic system, compound M0′ was the main component (accounting for 97.5% of compound-related components) after incubation in hepatocytes for 3 h, which indicated that compound M0′ possessed great metabolic stability. Seven metabolites have been successfully verified by UPLC/Q TOF MS in metabolic studies, including hydroxyl M0′ (M1′), hydroxyl and methylated M0′ (M2′), N-acetylated M0′ (M3′), sulfate of hydroxyl M0′ (M4′), the glucose conjugate of M0′ (M5′), glucuronide conjugate of M0′ (M6′), and glucuronide conjugate of hydroxyl M0′ (M7′). The study on metabolism provides the important information to develop effective α-syn aggregate inhibitors and new PET-tracer-related indolinone derivatives.

Synthesis of [13C2, 15N]-1,3-2H-1-benzyl-(Z)-3-(benzylidene)indolin-2-one

Parkinson disease (PD) is a neurodegenerative disorder characterized by the accumulation of α-synuclein into Lewy bodies. 3-Benzylidine-indolin-2-one represents a class of compounds, which are known to inhibit the accumulation of α-synuclein. In this pape

13C-NMR reactivity probes for the environment

Establishing the general reactivity of any segment of the terrestrial environment can be an important means of characterizing it. The sites capacity for transformation may reflect its environmental health, and knowing this capacity can provide a basisfor estimating the rates and nature of the transformations that may occur there. However, no direct means for measuring this reactivity has been available. This work expands upon preliminary efforts to develop reactivity probes for the environment. The 13C-labeled compounds chloroacetic acid (CA), chloroacetamide (CAM), and chloroacetonitrile (CCN) have been synthesized and tested as site reactivity probes (SRPs). The reactivity of activated sludge, a dump site soil, coastal marine water and sediments, and lake water and sediments was assessed by the probes. A simple protocol for employing the SRPs entails incubation with a 2-mL slurry, centrifugation/filtration at a desired time, followed by direct NMR analysis of products. The results indicate a broad capacity for the transformation of xenobiotics in the terrestrial environment, and they underscore the probes' capacity to delineate the nature and approximate rates for these processes. The CA probe is the most sensitive, but CAM and CCN allow an assessment of amide and nitrile hydrolysis by a given site. These probes should help in assessing the effectiveness of bioremediation efforts and also in gauging the effects of other alterations to a site.