Description

(Chlorodifluoromethyl)benzene (CAS No. 349-50-8) is a high-purity fluorinated organic compound with the molecular formula C₇H₅ClF₂. This specialty chemical, also known by its IUPAC name [chloro(difluoro)methyl]benzene, features a chlorodifluoromethyl group attached to a benzene ring, offering unique reactivity for synthetic applications. With a molecular weight of 158.56 g/mol, it is a clear, colorless to pale yellow liquid under standard conditions. This reagent is meticulously synthesized and purified to meet the stringent requirements of pharmaceutical, agrochemical, and materials science research. It is particularly valuable as a building block for the introduction of difluoromethyl and chloro-difluoromethyl motifs in medicinal chemistry and advanced material design. Packaged under inert atmosphere to ensure stability, each batch is accompanied by comprehensive analytical data including GC/MS, NMR, and HPLC purity reports.

Properties

• CAS Number: 349-50-8
• Complexity: 108
• IUPAC Name: [chloro(difluoro)methyl]benzene
• InChI: InChI=1S/C7H5ClF2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
• InChI Key: RPSUKAMDJCKXAF-UHFFFAOYSA-N
• Exact Mass: 162.0047842
• Molecular Formula: C7H5ClF2
• Molecular Weight: 162.56
• SMILES: C1=CC=C(C=C1)C(F)(F)Cl
• Monoisotopic Mass: 162.0047842
• Synonyms: (Chlorodifluoromethyl)benzene, 349-50-8, [chloro(difluoro)methyl]benzene, Benzene, (chlorodifluoromethyl)-, Toluene, alpha-chloro-alpha,alpha-difluoro-, MFCD01679709, Difluorochlorotoluene, omega-Chlorodifluorotoluene, BRN 2041754, Difluorbenzylchlorid, 4-05-00-00814 (Beilstein Handbook Reference), SCHEMBL4219815, SCHEMBL5402633, SCHEMBL5402636, SCHEMBL8554327, (chloro-difluoro-methyl)-benzene, DTXSID40188452, RPSUKAMDJCKXAF-UHFFFAOYSA-N, (Chlorodifluoromethyl)benzene, 96%, BBL102548, SBB087652, STL556351, AKOS005256030, AS-33374, FC104724, EN300-25979846

Application

(Chlorodifluoromethyl)benzene serves as a versatile intermediate in organic synthesis, particularly for the preparation of difluoromethylated aromatic compounds. It is employed in pharmaceutical research for the development of bioactive molecules with enhanced metabolic stability. The compound also finds use in material science for modifying polymer properties through fluorinated aromatic incorporation. Its reactivity in nucleophilic substitutions and radical reactions makes it valuable for constructing complex fluorinated architectures.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 2 (100%)
• STOT SE 3 (100%)

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