Description

1-(Chloromethyl)-2-(trifluoromethyl)benzene (CAS No. 21742-00-7) is a high-purity aromatic compound with the molecular formula C₈H₆ClF₃. This organofluorine building block features a reactive chloromethyl group adjacent to an electron-withdrawing trifluoromethyl substituent, making it a versatile intermediate for synthetic applications. The compound is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor. It is rigorously tested for identity, purity, and stability to ensure consistent performance in demanding research and industrial processes. Suitable for use under inert atmosphere, this reagent is packaged in amber glass bottles with secure closures to prevent moisture ingress and degradation.

Properties

• CAS Number: 21742-00-7
• Complexity: 144
• IUPAC Name: 1-(chloromethyl)-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
• InChI Key: BBXDMCQDLOCXRA-UHFFFAOYSA-N
• Exact Mass: 194.0110124
• Molecular Formula: C8H6ClF3
• Molecular Weight: 194.58
• SMILES: C1=CC=C(C(=C1)CCl)C(F)(F)F
• Monoisotopic Mass: 194.0110124
• Synonyms: 21742-00-7, 1-(Chloromethyl)-2-(trifluoromethyl)benzene, 2-trifluoromethylbenzyl chloride, EINECS 244-560-6, DTXSID20176135, DTXCID1098626, 244-560-6, 2-(Trifluoromethyl)benzyl chloride, o-trifluoromethylbenzyl chloride, 2-(trifluoromethyl)benzylchloride, Benzene, 1-(chloromethyl)-2-(trifluoromethyl)-, MFCD00009920, 2-trifluoromethylbenzylchloride, SCHEMBL121915, SCHEMBL5286607, 2-(Chloromethyl)benzotrifluoride, SCHEMBL27937767, ALBB-006034, a’-Chloro-a,a,a-trifluoro-o-xylene, CK2026, SBB006695, STK503679, AKOS000262076, AC-9762, FT63926, 1-chloromethyl-2-trifluoromethyl-benzene, 2-(Trifluoromethyl)benzyl chloride, 97%, PS-10659, 2-(chloromethyl)-1-(trifluoromethyl)benzene, NS00051206, ST50946596, T2731, 1-(chloromethyl)-2-(trifluoromethyl)-benzene, EN300-09854, alpha-Chloro-alpha,alpha,alpha-trifluoro-o-xylene, alpha-Chloro-alpha’,alpha’,alpha’-trifluoro-o-xlylene, Z56347086

Application

This compound serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. The reactive chloromethyl group enables nucleophilic substitution reactions to create novel benzyl derivatives. The electron-deficient aromatic ring system is particularly valuable in medicinal chemistry for modulating compound lipophilicity and metabolic stability. Researchers utilize this building block in the development of PET radiotracers and bioactive molecules targeting CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• STOT SE 3 (89.1%)

If you are interested or have any questions, please contact us at support@atomfair.com

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