Description

2-Chloro-5-nitrobenzotrifluoride (CAS No. 777-37-7) is a high-purity halogenated nitroaromatic compound with the molecular formula C₇H₃ClF₃NO₂. This fine chemical is characterized by its pale yellow crystalline appearance and is widely utilized as a versatile intermediate in organic synthesis. With an IUPAC name of 1-chloro-4-nitro-2-(trifluoromethyl)benzene, it features both electron-withdrawing nitro and trifluoromethyl groups, making it highly reactive in electrophilic substitution reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in moisture-resistant packaging to maintain stability. Ideal for pharmaceutical, agrochemical, and material science research, it is stored under controlled conditions to guarantee optimal shelf life. Synonyms include NSC 9467 and EINECS 212-287-1.

Properties

• CAS Number: 777-37-7
• Complexity: 228
• IUPAC Name: 1-chloro-4-nitro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
• InChI Key: HQROXDLWVGFPDE-UHFFFAOYSA-N
• Exact Mass: 224.9804405
• Molecular Formula: C7H3ClF3NO2
• Molecular Weight: 225.55
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Cl
• Topological: 45.8
• Monoisotopic Mass: 224.9804405
• Synonyms: 2-Chloro-5-nitrobenzotrifluoride, 777-37-7, BENZENE, 1-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-, NSC 9467, EINECS 212-287-1, 4-Nitro-2-(trifluoromethyl)chlorobenzene, AI3-28914, DTXSID3061130, DTXCID7047986, hqroxdlwvgfpde-uhfffaoysa-n, 1-Chloro-4-nitro-2-(trifluoromethyl)benzene, 4-Chloro-3-(trifluoromethyl)nitrobenzene, 3-(Trifluoromethyl)-4-chloronitrobenzene, MFCD00007296, 2-(Trifluoromethyl)-4-nitrochlorobenzene, Toluene, 2-chloro-.alpha.,.alpha.,.alpha.-trifluoro-5-nitro-, 1-chloro-4-nitro-2-trifluoromethyl-benzene, 2-chloro-5-nitro-a,a,a-trifluorotoluene, 1-chloro-2-(trifluoromethyl)-4-nitrobenzene, 5-nitro-2-chlorobenzotrifluoride, NSC9467, 2-Chloro-5-nitro-alpha,alpha,alpha-trifluorotoluene, SCHEMBL147513, 2-Chloro-alpha,alpha,alpha-trifluoro-5-nitrotoluene, SCHEMBL1148427, SCHEMBL27579924, 2-chloro-5-nitro benzotrifluoride, 2-chloro-5-nitro-benzotrifluoride, NSC-9467, BBL010028, SBB007665, STK801406, 4-chloro-3-trifluoromethylnitrobenzene, AKOS005216769, AC-2543, CS-W010436, 2-chloro-5-nitro-trifluoromethylbenzene, 2-Chloro-5-nitrobenzotrifluoride, 97%, 3-trifluoromethyl-4-chloro-nitrobenzene, 2-chloro-a,a,a-trifluoro-5-nitrotoluene, 4-nitro-2-trifluoromethyl-chloro benzene, AS-10989, ST060471, 1-chloro-4-nitro-2-trifluoromethylbenzene, 2-chloro-1-trifluoromethyl-5-nitro-benzene, 2-Chloro-5-nitro-3-(trifluoromethyl)benzene, NS00042202, Toluene,.alpha.,.alpha.-trifluoro-5-nitro-, EN300-51011, 1-Chloro-4-nitro-2-(trifluoromethyl)benzene #, D70115, 2-Chloro-.alpha.,.alpha.-trifluoro-5-nitrotoluene, Toluene, 2-chloro-alpha,alpha,alpha-trifluoro-5-nitro-, Z608347790, 2-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-5-nitrotoluene, Nitro-2-(trifluoromethyl)chlorobenzene; 1-Chloro-4-nitro-2-(trifluoromethyl)-benzene

Application

2-Chloro-5-nitrobenzotrifluoride serves as a key building block in the synthesis of advanced pharmaceutical compounds, particularly in the development of fluorinated drug candidates. It is employed in agrochemical research for creating herbicides and pesticides due to its reactive nitro and trifluoromethyl functionalities. Additionally, this compound finds use in material science for designing specialty polymers and liquid crystals with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.2%): 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

Hazard Classes and Categories

• Acute Tox. 4 (89.4%)
• Acute Tox. 4 (10.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (12.8%)
• STOT SE 3 (87.2%)

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