Description

2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline (CAS No. 103015-84-5) is a highly specialized fluorinated aromatic compound with the molecular formula C₉H₅Cl₂F₆NO. This chemical features a unique hexafluoropropoxy substituent, making it valuable for advanced synthetic applications in pharmaceutical and agrochemical research. Its dichloro-aniline backbone provides reactivity for further functionalization, while the hexafluoropropoxy group enhances lipophilicity and metabolic stability. Available in high purity (>98%), this compound is ideal for researchers exploring novel bioactive molecules, fluorinated intermediates, or materials science applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light.

Properties

• CAS Number: 103015-84-5
• Complexity: 316
• IUPAC Name: 2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
• InChI: InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2
• InChI Key: PIANCHDAVNRLDV-UHFFFAOYSA-N
• Exact Mass: 326.9652381
• Molecular Formula: C9H5Cl2F6NO
• Molecular Weight: 328.03
• SMILES: C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)N
• Topological: 35.3
• Monoisotopic Mass: 326.9652381
• Synonyms: 2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline, 2,5-DICHLORO-4-(1,1,2,3,3,3-HEXAFLUOROPROPOXY)BENZENAMINE, DTXSID50432039, DTXCID40837630, 414-940-8, 103015-84-5, C9H5Cl2F6NO, Benzenamine, 2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-, MFCD17170052, SCHEMBL7701776, AKOS015917476, CGA 224443, AS-69292, CS-0157834, NS00018729, D82457, 2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-aniline

Application

This compound serves as a key intermediate in the synthesis of fluorinated agrochemicals and pharmaceuticals, where its hexafluoropropoxy group imparts enhanced bioactivity and stability. Researchers utilize it in developing herbicides, insecticides, and specialty materials requiring fluorine incorporation. Its reactive aniline moiety allows for further derivatization via diazotization or cross-coupling reactions. The compound is also investigated in material science for creating fluorinated polymers with unique surface properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Eye Irrit. 2 (100%)
• Aquatic Acute 1 (100%)
• Aquatic Chronic 1 (100%)

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