Description

(3-Trifluoromethylphenyl)urea (CAS 13114-87-9) is a high-purity organic compound with the molecular formula C₈H₇F₃N₂O. This urea derivative features a trifluoromethylphenyl group, offering unique reactivity and stability for advanced synthetic applications. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is rigorously tested to ensure ≥98% purity (HPLC). Available in crystalline form with batch-specific certificates of analysis, it is packaged under inert conditions to guarantee long-term stability. Suitable for use as a building block in medicinal chemistry, cross-coupling reactions, and as a precursor for heterocycle synthesis.

Properties

• CAS Number: 13114-87-9
• Complexity: 217
• IUPAC Name: [3-(trifluoromethyl)phenyl]urea
• InChI: InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
• InChI Key: FQEIBEOBXKJAMZ-UHFFFAOYSA-N
• Exact Mass: 204.05104734
• Molecular Formula: C8H7F3N2O
• Molecular Weight: 204.15
• SMILES: C1=CC(=CC(=C1)NC(=O)N)C(F)(F)F
• Topological: 55.1
• Monoisotopic Mass: 204.05104734
• Synonyms: 13114-87-9, [3-(trifluoromethyl)phenyl]urea, Urea, N-[3-(trifluoromethyl)phenyl]-, Didemethylfluometuron, (3-trifluoromethylphenyl)urea, Urea, N-(3-(trifluoromethyl)phenyl)-, QA3K6C5P54, (3-(Trifluoromethyl)phenyl)urea, NSC-136288, DTXSID0065355, (M-(TRIFLUOROMETHYL)PHENYL)UREA, TRIFLUOROMETHYL)PHENYL UREA, 3-(, DTXCID9034028, 1-(3-(Trifluoromethyl)phenyl)urea, 3-(TRIFLUOROMETHYL)PHENYLUREA, 1-[3-(trifluoromethyl)phenyl]urea, N-[3-(trifluoromethyl)phenyl]urea, Urea, [3-(trifluoromethyl)phenyl]-, N-(3-Trifluoromethylphenyl)urea, 3-Trifluoromethylphenylurea, Fluometuron-N,N-desmethyl, MFCD00025424, Urea, (3-(trifluoromethyl)phenyl)-, CHEMBL1338939, 1-(3-(tri-fluoromethyl)phenyl)urea, 1-[3-(tri-fluoromethyl)phenyl]urea, amino-N-[3-(trifluoromethyl)phenyl]amide, EINECS 236-040-2, NSC136288, NSC 136288, 3-(alpha,alpha,alpha-Trifluoro-m-tolyl)urea, Urea, (alpha,alpha,alpha-trifluoro-m-tolyl)-, UNII-QA3K6C5P54, MLS000058790, SCHEMBL167618, SCHEMBL2236573, (3-trifluoromethyl-phenyl)-urea, SCHEMBL11373214, HMS2401M04, N-[3-(trifluoro-methyl)phenyl]urea, BDBM50427553, SBB023416, STK350561, AKOS000161408, FT79155, PS-6612, SDCCGMLS-0020472.P002, SMR000069055, SY081437, Urea,.alpha.,.alpha.-trifluoro-m-tolyl)-, DB-042004, 3-(.alpha.,.alpha.-Trifluoro-m-tolyl)urea, CS-0037972, NS00021594, ST45138471, EN300-230477, SR-01000197063, 3-(.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)urea, SR-01000197063-1, Urea, (.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-, F6660-3430, GF6

Application

(3-Trifluoromethylphenyl)urea serves as a versatile intermediate in medicinal chemistry for the development of kinase inhibitors and bioactive molecules. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in drug discovery. Researchers also utilize it in agrochemical studies for designing herbicidal agents. Additionally, it acts as a key precursor in the synthesis of fluorinated polymers and specialty materials.

Safety and Hazards

GHS Hazard Statements

• 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]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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