Description

Sodium chlorodifluoroacetate (CAS No. 1895-39-2) is a high-purity organofluorine compound with the molecular formula C₂ClF₂NaO₂, widely utilized in synthetic organic chemistry and pharmaceutical research. This white crystalline solid, classified as the sodium salt of chlorodifluoroacetic acid (IUPAC: sodium;2-chloro-2,2-difluoroacetate), exhibits exceptional reactivity as a fluorinated building block for nucleophilic substitution reactions. With a molecular weight of 160.47 g/mol, it is soluble in polar solvents like water, DMF, and DMSO, making it ideal for controlled fluorination processes. Our product is rigorously tested to ≥98% purity (HPLC) and packaged under inert conditions to ensure stability. Key applications include the synthesis of fluorinated heterocycles, agrochemical intermediates, and bioactive molecules where selective difluoromethylation is required. Suitable for use under Schlenk line or glovebox conditions due to moisture sensitivity.

Properties

• CAS Number: 1895-39-2
• Complexity: 96
• IUPAC Name: sodium;2-chloro-2,2-difluoro-acetate
• InChI: InChI=1S/C2HClF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M
• Exact Mass: 151.9452575
• Molecular Formula: C2ClF2NaO2
• Molecular Weight: 152.46
• SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]
• Topological: 40.1
• Monoisotopic Mass: 151.9452575
• Synonyms: Sodium chlorodifluoroacetate, Acetic acid, 2-chloro-2,2-difluoro-, sodium salt (1:1), Acetic acid, chlorodifluoro-, sodium salt, EINECS 217-586-0, DTXSID1062049, DTXCID2035986, 217-586-0, 1895-39-2, sodium 2-chloro-2,2-difluoroacetate, Chlorodifluoroacetic acid sodium salt, sodium difluorochloroacetate, MFCD00064771, sodium;2-chloro-2,2-difluoroacetate, chlorodifluoro-acetic acid sodium salt, sodium chloro(difluoro)acetate, C2ClF2NaO2, sodiumchlorodifluoroacetate, difluorochloroacetic acid sodium salt, Sodium chloro difluoro acetate, 2-Chloro-2,2-difluoro-acetic Acid Sodium Salt; Chlorodifluoroacetic Acid Sodium Salt; Sodium Chlorodifluoroacetate; Sodium Difluorochloroacetate, sodium,2-chloro-2,2-difluoroacetate, ClCF2COONa, F2ClCCOONa, sodium 2-chloro-2,2-difluoro-acetate, ClCF2CO2Na, F2ClCCO2Na, sodium chlorodifluoracetate, sodium chlorodifluoroactate, sodium chlorodifluoro-acetate, SCHEMBL68124, sodium chloro difluro acetate, ZAY4J838P2, BCP24412, CS-D1772, sodium2-chloro-2,2-difluoroacetate, sodium 2-chloro-2,2-difluroacetate, AC-743, AC7827, AKOS001098663, (2-chloro-2,2-difluoro-acetyl)oxysodium, AS-69504, SY008049, DB-044706, NS00081860, 2-Chloro-2,2-difluoroacetic acid sodium salt, EN300-55805, 2-Chloro-2,2,-difluoroacetic acid sodium salt, 2-chloro-2,2-difluoro-acetic acid sodium salt, sodium 2-chloranyl-2,2-bis(fluoranyl)ethanoate, A813328, Acetic acid, 2-chloro-2,2-difluoro-, sodium salt, F0001-0682

Application

Sodium chlorodifluoroacetate serves as a versatile reagent for introducing difluoromethyl (CF₂H) and chlorodifluoromethyl (CF₂Cl) groups in medicinal chemistry, enabling the modulation of lipophilicity and metabolic stability in drug candidates. It is particularly valuable in the synthesis of fluorinated pyrimidines and quinolones for antimicrobial applications. The compound also finds use in materials science for creating water-repellent coatings and in agrochemical production as a precursor for herbicides with enhanced environmental persistence.

Safety and Hazards

GHS Hazard Statements

• H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (97.6%)
• Eye Irrit. 2 (97.6%)
• STOT SE 3 (96.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.