Description

2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS No. 29091-09-6) is a high-purity halogenated nitroaromatic compound with the molecular formula C₇HCl₂F₃N₂O₄. This yellow crystalline solid is a versatile intermediate in organic synthesis, particularly in the preparation of agrochemicals, pharmaceuticals, and specialty materials. With a molecular weight of 290.99 g/mol, it features reactive nitro and chloro groups ortho to a strongly electron-withdrawing trifluoromethyl group, enabling selective substitution reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in amber glass bottles under inert atmosphere to prevent degradation. Ideal for researchers developing novel fluorinated compounds or studying electrophilic aromatic substitution mechanisms. Technical data includes: melting point 65-68°C, soluble in organic solvents (DMF, DMSO, acetone), and incompatible with strong reducing agents.

Properties

• CAS Number: 29091-09-6
• Complexity: 356
• IUPAC Name: 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
• InChI: InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H
• InChI Key: DPQYRXNRGNLPFC-UHFFFAOYSA-N
• Exact Mass: 303.9265464
• Molecular Formula: C7HCl2F3N2O4
• Molecular Weight: 304.99
• SMILES: C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(F)(F)F
• Topological: 91.6
• Monoisotopic Mass: 303.9265464
• Synonyms: 2,4-Dichloro-3,5-dinitrobenzotrifluoride, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-, UNII-UPF413436J, DTXSID7044639, UPF413436J, EINECS 249-420-8, DTXCID5024639, EC 249-420-8, 2,4-DICHLORO-1-(TRIFLUOROMETHYL)-3,5-DINITROBENZENE, TOLUENE, 2,4-DICHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3,5-DINITRO-, TOLUENE, 2,4-DICHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-3,5-DINITRO-, 249-420-8, 29091-09-6, 2,4-Dichloro-3,5-dinitro benzotrifluoride, MFCD00042480, SCHEMBL2054426, CHEMBL3185425, Tox21_302530, CK2302, SBB063991, AKOS015889877, NCGC00256855-01, AC-13855, AS-12566, 2,4-dichloro-3,5-dinitro-benzotrifluoride, CAS-29091-09-6, D3315, NS00002403, ST50827074, 1,3-dichloro-2,6-dinitro-4-trifluoromethylbenzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-benzene, 2,4-Dichloro-3,5-dinitrobenzotrifluoride, AldrichCPR, Q27291188, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, 2,4-Dichloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene

Application

This compound serves as a key precursor in the synthesis of trifluoromethyl-substituted aniline derivatives for crop protection agents. Its electron-deficient aromatic ring facilitates nucleophilic displacement reactions to create heterocyclic scaffolds in pharmaceutical development. Researchers also utilize it as a building block for advanced materials with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H400 (97.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (97.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (99.1%)
• Aquatic Acute 1 (97.3%)
• Aquatic Chronic 1 (97.3%)

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