Description

5-(Trifluoromethyl)benzene-1,3-diamine (CAS No. 368-53-6) is a high-purity aromatic diamine compound with the molecular formula C₇H₇F₃N₂. This specialty chemical features a benzene ring substituted with a trifluoromethyl group (–CF₃) and two amine (–NH₂) groups at the 1,3-positions, offering unique reactivity and electronic properties. Ideal for pharmaceutical intermediates, agrochemical synthesis, and advanced material applications due to its electron-withdrawing trifluoromethyl group enhancing stability and bioactivity. Supplied as a crystalline solid with ≥98% purity (HPLC), this compound is rigorously tested for consistency and stored under controlled conditions to ensure optimal performance. Compatible with palladium-catalyzed coupling reactions, nucleophilic substitutions, and polymerization processes. Available in research quantities (100mg to 1kg) with optional custom packaging and purity upgrades.

Properties

• CAS Number: 368-53-6
• Complexity: 147
• IUPAC Name: 5-(trifluoromethyl)benzene-1,3-diamine
• InChI: InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2
• InChI Key: KZSXRDLXTFEHJM-UHFFFAOYSA-N
• Exact Mass: 176.05613272
• Molecular Formula: C7H7F3N2
• Molecular Weight: 176.14
• SMILES: C1=C(C=C(C=C1N)N)C(F)(F)F
• Topological: 52
• Monoisotopic Mass: 176.05613272
• Synonyms: 3,5-Diaminobenzotrifluoride, 5-(Trifluoromethyl)benzene-1,3-diamine, 368-53-6, 5-(Trifluoromethyl)-1,3-phenylenediamine, 3,5-Benzotrifluorodiamine, MFCD00014776, 1,3-Benzeneamine, 5-[(trifluoromethyl)-, Z89RD529KK, 5-(Trifluoromethyl)-1,3-benzenediamine, 1,3-Benzeneamine, 5-((trifluoromethyl)-, BRN 2966748, EINECS 206-708-8, UNII-Z89RD529KK, 1,3-Benzenediamine, 5-(trifluoromethyl)-, alpha,alpha,alpha-Trifluorotoluene-3,5-diamine, 4-13-00-00264 (Beilstein Handbook Reference), Toluene-3,5-diamine, alpha,alpha,alpha-trifluoro-, SCHEMBL394717, DTXSID4073170, BENZOTRIFLUORODIAMINE, 3,5-, SBB089142, 1-trifluoromethyl-3,5-diaminobenzene, 5-trifluoromethyl-benzene-1,3-diamine, AKOS002663569, 5-(Trifluoromethyl)-m-phenylenediamine, 5-trifluoromethyl-1,3-phenylenediamine, CS-W017415, PS-8583, 3-(trifluoromethyl)-1,5-phenylenediamine, AC-17469, FT104978, SY031397, NS00041454, ST50407386, T3239, 5-(Trifluoromethyl)-1,3-phenylenediamine, 98%, EN300-4257760, Q27295135

Application

5-(Trifluoromethyl)benzene-1,3-diamine serves as a key building block in pharmaceutical research, particularly for synthesizing trifluoromethylated bioactive molecules. Its electron-deficient aromatic ring system is valuable in agrochemical development, enabling the creation of herbicides and fungicides with enhanced metabolic stability. The compound also finds use in advanced polymer chemistry as a monomer for high-performance polyimides and epoxy resins, where the –CF₃ group improves thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (10.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (93.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (14.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.9%)
• Acute Tox. 3 (10.6%)
• Skin Irrit. 2 (17%)
• Eye Dam. 1 (93.6%)
• Acute Tox. 4 (12.8%)
• STOT SE 3 (14.9%)

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