Description

Benzene, 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)- (9Ci) CAS NO 137935-40-1 is a specialized aromatic compound featuring a unique trifluoromethyl group, a nitro substituent, and a reactive isothiocyanate functional group. This combination of structural motifs makes it a high-value intermediate for the synthesis of complex molecules in advanced research and development. It is primarily sought by pharmaceutical, agrochemical, and material science industries for creating novel compounds with targeted properties.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates with fluorinated or sulfur-containing pharmacophores.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and pesticides, where the trifluoromethyl and nitro groups can enhance biological activity and environmental stability.
• Organic Synthesis Reagent: Acts as a versatile electrophile in heterocyclic chemistry and for introducing the isothiocyanate moiety into larger molecular frameworks.
• Material Science Precursor: Potential use in the synthesis of advanced polymers, liquid crystals, or organic electronic materials due to its aromatic core and multiple functional groups.
• Chemical Biology Probe: Utilized in research for labeling or modifying biomolecules, leveraging the reactivity of the isothiocyanate group with amines.

Basic Information

Product Name	Benzene, 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)- (9Ci)
CAS No.	137935-40-1
Molecular Formula	C8H3F3N2O2S
Molecular Weight	248.18 g/mol
Synonyms	1-Isothiocyanato-2-nitro-4-(trifluoromethyl)benzene; 2-Nitro-α,α,α-trifluoro-p-isothiocyanatotoluene; 4-(Trifluoromethyl)-2-nitrobenzene isothiocyanate; 2-Nitro-4-(trifluoromethyl)phenyl isothiocyanate; NSC 339063; p-Trifluoromethyl-o-nitrobenzene isothiocyanate; [2-Nitro-4-(trifluoromethyl)phenyl] isothiocyanate
EINECS	Contact for details

Quality Control

Our production of Benzene, 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)- (9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and industrial use. All materials are characterized by modern analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This compound is light-sensitive (store away from light). Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95% (Typical 97-99%)
Melting Point	Contact for details

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.