Description
1-Chloro-3-(trifluoromethoxy)benzene (CAS No. 772-49-6) is a high-purity aromatic compound with the molecular formula C7H4ClF3O. This specialty chemical features a benzene ring substituted with a chlorine atom and a trifluoromethoxy group at the meta positions, offering unique reactivity and stability for advanced synthetic applications. It is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is rigorously tested to ensure ≥98% purity (GC). Suitable for use as a versatile building block in pharmaceutical, agrochemical, and material science research, this compound is packaged under inert gas to maintain integrity. Store in a cool, dry place away from light and oxidizing agents.
Properties
- CAS Number: 772-49-6
- Complexity: 148
- IUPAC Name: 1-chloro-3-(trifluoromethoxy)benzene
- InChI: InChI=1S/C7H4ClF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
- InChI Key: OLDJEKBXICPMAS-UHFFFAOYSA-N
- Exact Mass: 195.9902769
- Molecular Formula: C7H4ClF3O
- Molecular Weight: 196.55
- SMILES: C1=CC(=CC(=C1)Cl)OC(F)(F)F
- Topological: 9.2
- Monoisotopic Mass: 195.9902769
- Synonyms: 1-Chloro-3-(trifluoromethoxy)benzene, 772-49-6, DTXSID70380447, DTXCID10331473, 680-208-1, 3-(TRIFLUOROMETHOXY)CHLOROBENZENE, MFCD00276971, m-chlorotrifluoromethoxybenzene, Benzene, 1-chloro-3-(trifluoromethoxy)-, SCHEMBL255377, SCHEMBL407097, SCHEMBL407749, SCHEMBL900592, SCHEMBL900707, SBB092042, 3-chloro-1-(trifluoromethoxy)benzene, AKOS006227834, CS-W015693, PS-8263, 1-chloranyl-3-(trifluoromethyloxy)benzene, SY020754, DB-024241, C2092, A839017
Application
1-Chloro-3-(trifluoromethoxy)benzene is widely employed as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) with enhanced metabolic stability. Its trifluoromethoxy group is valuable in agrochemical research for modifying pesticide and herbicide activity. The compound also serves as a precursor in material science for designing liquid crystals and specialty polymers with tailored electronic properties.
Safety and Hazards
GHS Hazard Statements
- H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statements
- P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501
Hazard Classes and Categories
- Flam. Liq. 3 (100%)
- Skin Irrit. 2 (100%)
- Eye Irrit. 2 (100%)
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