Description

1-Methyl-2-(trifluoromethyl)benzene (CAS No. 13630-19-8) is a high-purity aromatic compound with the molecular formula C₈H₇F₃, widely utilized in organic synthesis and material science. This colorless to pale-yellow liquid exhibits excellent chemical stability and reactivity due to the presence of both a methyl group and a trifluoromethyl group on the benzene ring. It is commonly employed as a versatile building block in pharmaceuticals, agrochemicals, and specialty chemicals. Packaged under inert gas to ensure longevity, our product meets stringent quality standards, with batch-specific certificates of analysis available upon request. Ideal for researchers requiring precise fluorinated intermediates.

Properties

• CAS Number: 13630-19-8
• Complexity: 128
• IUPAC Name: 1-methyl-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
• InChI Key: DVFVNJHIVAPTMS-UHFFFAOYSA-N
• Exact Mass: 160.04998471
• Molecular Formula: C8H7F3
• Molecular Weight: 160.14
• SMILES: CC1=CC=CC=C1C(F)(F)F
• Monoisotopic Mass: 160.04998471
• Synonyms: 13630-19-8, 1-methyl-2-(trifluoromethyl)benzene, 642-685-4, 2-Methylbenzotrifluoride, 2-(Trifluoromethyl)toluene, MFCD00153204, 1-Methyl-2-trifluoromethyl-benzene, 2-methyl-1-(trifluoromethyl)benzene, alpha,alpha,alpha-Trifluoro-o-xylene, Benzene, methyl(trifluoromethyl)-, trifluoromethyltoluene, trifluoromethyl toluene, SCHEMBL67468, SCHEMBL145873, SCHEMBL169124, SCHEMBL330164, SCHEMBL454798, SCHEMBL456604, SCHEMBL2095570, SCHEMBL2095572, SCHEMBL9901639, SCHEMBL9901858, SCHEMBL9902038, SCHEMBL9902136, SCHEMBL9903356, DTXSID40379525, CXTQJQLIHHVTBT-UHFFFAOYSA-N, BBL104099, SBB087418, STL557914, AKOS005255031, AC-4149, CS-W002447, DS-14288, SY022894, DB-000365, M1215, ST50407369

Application

1-Methyl-2-(trifluoromethyl)benzene serves as a key intermediate in the synthesis of advanced pharmaceutical compounds, particularly those requiring trifluoromethylated aromatic motifs. Its electron-withdrawing properties make it valuable in agrochemical development for crop protection agents. The compound is also used in material science to modify polymer properties and in catalysis research for ligand design.

Safety and Hazards

GHS Hazard Statements

• H226 (15.2%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (82.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (15.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Flam. Liq. 3 (15.2%)
• Acute Tox. 4 (82.6%)
• Skin Irrit. 2 (15.2%)
• Eye Irrit. 2A (15.2%)
• STOT SE 3 (15.2%)

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