3,5-Dinitrobenzotrifluoride

CAS 401-99-0(O2N)2C6H3CF3Chemical Synthesis

3,5-Dinitrobenzotrifluoride (CAS 401-99-0) is a chemical compound utilised in organic synthesis. Its structure features a trifluoromethyl group and two nitro groups attached to a benzene ring, making it a valuable building block. This compound has been employed in the preparation of complex organic molecules, including aromatic diamine monomers used in polymer development. It is supplied by Tech Serve Solutions for research and industrial applications.

Synonyms: (O2N)2C6H3CF3

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3,5-Dinitrobenzotrifluoride ((O2N)2C6H3CF3) — chemical structure, CAS 401-99-0; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksChemical SynthesisNitro CompoundsNitrogen CompoundsOrganic Building Blocks

01 /Applications

Monomer Synthesis

Utilised in the synthesis of 4,4′-bis(3-amino-5-trifluoromethyl phenoxy)-biphenyl, an aromatic diamine monomer for polymer applications.

Analytical Standard

Employed as an internal standard for the determination of herbicides like ethalfluralin and trifluralin in soil extracts using mass spectrometry.

Organic Synthesis Intermediate

Serves as a versatile building block in the construction of more complex organic molecules within chemical synthesis.

02 /Properties

Molecular weight	236.10
Linear formula	(O2N)2C6H3CF3
Assay	99%
Application	3,5-Dinitrobenzotrifluoride was used in the synthesis of 4,4′-bis(3-amino-5-trifluoromethyl phenoxy)-biphenyl, an aromatic diamine monomer1. It was also used as internal standard during the determination of ethalfluralin and trifluralin in soil extracts by negative chemical ionization mass spectrometry2.
Melting point	47-51 °C(lit.)

03 /Safety & handling

GHS hazard pictogram: Harmful / irritant (GHS07) — Harmful / irritant

Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust, fume, gas or vapours
P305IF IN EYES

Protective equipment	dust mask type N95 (US), Eyeshields, Gloves
Flash point	110 °C / 230 °F
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

401-99-0

MDL number

MFCD00007233

PubChem substance

24851814

Beilstein registry

2058079

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 3,5-Dinitrobenzotrifluoride used for?

3,5-Dinitrobenzotrifluoride is used as a building block in organic synthesis, notably for creating aromatic diamine monomers and as an internal standard in analytical chemistry for herbicide determination.

What is the CAS number and formula for 3,5-Dinitrobenzotrifluoride?

The CAS number is 401-99-0 and the linear formula is (O2N)2C6H3CF3.

What is the grade and purity of 3,5-Dinitrobenzotrifluoride?

This product is supplied with an assay of 99% purity, suitable for research and synthesis purposes.

What are the primary hazards associated with 3,5-Dinitrobenzotrifluoride?

Based on GHS classification, 3,5-Dinitrobenzotrifluoride is a warning substance that causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335).