Description

3-(Trifluoromethyl)aniline (CAS No. 98-16-8) is a high-purity aromatic amine with the molecular formula C₇H₆F₃N. This compound, also known as 3-Aminobenzotrifluoride, features a trifluoromethyl group (-CF₃) meta-substituted on the aniline ring, enhancing its electron-withdrawing properties and chemical reactivity. Ideal for pharmaceutical, agrochemical, and material science applications, this reagent is supplied as a clear to pale yellow liquid with a purity of ≥98% (GC). It is sensitive to air and light, requiring storage under inert conditions (N₂ or Ar) at 2-8°C. Suitable for use as a building block in Suzuki couplings, amide formations, and heterocycle synthesis. Available in quantities from 1g to 10kg with custom packaging options.

Properties

• CAS Number: 98-16-8
• Complexity: 132
• IUPAC Name: 3-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
• InChI Key: VIUDTWATMPPKEL-UHFFFAOYSA-N
• Exact Mass: 161.04523368
• Molecular Formula: C7H6F3N
• Molecular Weight: 161.12
• SMILES: C1=CC(=CC(=C1)N)C(F)(F)F
• Topological: 26
• Monoisotopic Mass: 161.04523368
• Physical Description: 3-trifluoromethylaniline appears as a colorless liquid with a fishlike odor. Insoluble in water and denser than water. Toxic by ingestion and inhalation. Used to make dyes and pharmaceuticals.
• Color/Form: COLORLESS TO YELLOW OILY LIQ
• Odor: Fish-like
• Boiling Point: 369.5 °F at 764 mmHg
• Melting Point: 37 °F
• Flash Point: 185 °F
• Solubility: Slightly soluble
• Density: 1.303 at 59.9 °F – Denser than water; will sink
• Vapor Density: 5.56 – Heavier than air; will sink
• Vapor Pressure: 0.59 [mmHg]
• Refractive Index: INDEX OF REFRACTION: 1.4787 @ 20 °C/D; MAX ABSORPTION : 296 NM
• Synonyms: 3-(Trifluoromethyl)aniline, 3-Aminobenzotrifluoride, 3-Trifluoromethylaniline, Benzenamine, 3-(trifluoromethyl)-, m-Trifluoromethylaniline, M-(TRIFLUOROMETHYL)ANILINE, 3-Trifluoromethyl aniline, alpha,alpha,alpha-Trifluoro-m-toluidine, 3-(trifluoromethyl)phenylamine, 3-Trifluromethylaniline, CCRIS 2812, HSDB 4249, UNII-Z1RWM538YN, EINECS 202-643-4, UN2948, BRN 0387672, 3trifluoromethylaniline, DTXSID9024512, AI3-07422, 3-aminobenzo-trifluoride, NSC-4540, 3(trifluoromethyl)aniline, DTXCID504512, .alpha.,.alpha.,.alpha.-Trifluoro-m-toluidine, EC 202-643-4, 4-12-00-01843 (Beilstein Handbook Reference), UN 2948, M-(TRIFLUOROMETHYL)ANILINE [HSDB], FLUTAMIDE IMPURITY D [EP IMPURITY], 3-AMINO,ALPHA,ALPHA,ALPHA-TRIFLUORO-TOLUENE, AMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 3-, Toluene, 3-amino-.alpha.,.alpha.,.alpha.-trifluoro-,, 3-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE, FLUTAMIDE IMPURITY D (EP IMPURITY), mAminobenzal fluoride, mAminobenzotrifluoride, MABTF, 3Aminobenzotrifluoride, 3trifluoromethyl aniline, 3(Trifluoromethyl)benzenamine, 1Amino3(trifluoromethyl)benzene, Benzenamine, 3(trifluoromethyl), alpha,alpha,alphaTrifluoromtoluidine, mToluidine, alpha,alpha,alphatrifluoro, mAminoalpha,alpha,alphatrifluorotoluene, Toluene, 3aminoalpha,alpha,alphatrifluoro, Toluene, 3-amino-alpha,alpha,alpha-trifluoro-,, 3-AMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, M-AMINO-ALPHA,ALPHA, ALPHA-TRIFLUOROTOLUENE, inchi=1/c7h6f3n/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4h,11h, viudtwatmppkel-uhfffaoysa-n, 98-16-8, m-Aminobenzotrifluoride, 3-(Trifluoromethyl)benzenamine, m-Aminobenzal fluoride, m-Abtf, USAF MA-4, 1-Amino-3-(trifluoromethyl)benzene, 3-Amino-a,a,a-trifluorotoluene, NSC 4540, MFCD00007797, 3-Aminotrifluorotoluene, Z1RWM538YN, 3-(trifluoromethyl)-benzenamine, aniline, 3-trifluoromethyl-, m-Amino-.alpha.,.alpha.,.alpha.-trifluorotoluene, m-Toluidine, .alpha.,.alpha.,.alpha.-trifluoro-, CAS-98-16-8, 3-Trifluoromethyl-phenylamine, 3-(trifluoromethyl)-aniline, 3-(Trifluoromethyl) aniline, m-Amino-alpha,alpha,alpha-trifluorotoluene, m-Toluidine, alpha,alpha,alpha-trifluoro-, Toluene, 3-amino-alpha,alpha,alpha-trifluoro-, Flutamide Imp. D (EP); Niflumic Acid Imp. C (EP); 3-(Trifluoromethyl)aniline; Flutamide Impurity D; Niflumic Acid Impurity C, 3-aminobenzotriflouride, 3-trifluormethylaniline, 3-trifluoromethylanilin, 3-amino-benzotrifluoride, 3-trifloromethyl aniline, m-trifluoromethyl aniline, m-trifluoromethyl-aniline, meta-aminobenzotrifluoride, 3-trifluoromethyl-aniline, 5-trifluoromethyl-aniline, 3-(trifluormethyl)aniline, meta-trifluoromethylaniline, 3-(tri-fluormethyl)aniline, 3-(trifluor-methyl)aniline, 3-Trifluoromethylbenzenamine, 3-trifluoromethylphenylamine, 3-(trifluoro-methyl)aniline, 3-trifluoromethylbenzeneamine, SCHEMBL39591, SCHEMBL42429, SCHEMBL686379, 3-trifluoromethyl phenyl amine, 3-(trifluoromethyl)benzeneamine, 3-F3CC6H4NH2, SCHEMBL4852287, SCHEMBL5463356, SCHEMBL6221220, SCHEMBL9095276, 3-(trifluoromethyl)benzenaminium, CHEMBL1162293, [3-(trifluoromethyl)phenyl]amine, NSC4540, ISKCXMWFGFWNBA-UHFFFAOYSA-N, XNZIQYHXPBHLRA-UHFFFAOYSA-N, 2,3,6-trifluoro-5-methyl-aniline, CS-D1197, Tox21_201909, Tox21_303081, AC-027, SBB003954, STK943763, 2,4,6-trifluoro-3-methylbenzenamine, 3-(Trifluoromethyl)aniline, >=99%, Toluene,.alpha.,.alpha.-trifluoro-,, AKOS000119177, .alpha.,.alpha.-Trifluoro-m-toluidine, FA36984, PS-8763, NCGC00091738-01, NCGC00091738-02, NCGC00091738-03, NCGC00257044-01, NCGC00259458-01, alpha, alpha, alpha-trifluoro-m-toluidine, m-Amino-.alpha.,.alpha.-trifluorotoluene, A0434, NS00004089, ST45255281, EN300-19104, 3-Trifluoromethylaniline [UN2948] [Poison], A935951, AG-617/02198031, AH-357/04334061, Q424934, 3-aminobenzotrifluoride / 3-(trifluoromethyl)aniline, F2190-0435, Z104472788, 51R

Application

3-(Trifluoromethyl)aniline is widely used as a key intermediate in the synthesis of pharmaceuticals, including antitumor and antiviral agents, due to its trifluoromethyl group’s metabolic stability. In agrochemicals, it serves as a precursor for herbicides and fungicides. The compound is also employed in material science for designing liquid crystals and advanced polymers with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (75.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (17.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (80%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (68.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H411 (34.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.7%)
• Acute Tox. 4 (75.7%)
• Skin Irrit. 2 (28.6%)
• Eye Dam. 1 (17.1%)
• Eye Irrit. 2 (20%)
• Acute Tox. 2 (80%)
• STOT SE 3 (10%)
• STOT RE 2 (68.6%)
• Aquatic Chronic 2 (34.3%)

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