3-Bromobenzotrifluoride

CAS 401-78-5BrC6H4CF3Chemical Synthesis

3-Bromobenzotrifluoride (CAS 401-78-5), with the chemical formula BrC6H4CF3, is a valuable organic compound with a molecular weight of 225.01 g/mol. It serves as a key building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Its halogenated aromatic structure makes it reactive for various coupling reactions and further functionalization.

IUPAC: 1-Bromo-3-(trifluoromethyl)benzene,3-Bromo-α,α,α-trifluorotoluene
Synonyms: 1-Bromo-3-(trifluoromethyl)benzene3-Bromo-α,α,α-trifluorotoluene

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3-Bromobenzotrifluoride (BrC6H4CF3) — chemical structure, CAS 401-78-5; Chemistry, fine chemical supplied by Tech Serve Solutions

ArylBuilding BlocksChemical SynthesisHalogenated Hydrocarbons

01 /Applications

Pharmaceutical Intermediate

Utilised in the synthesis of active pharmaceutical ingredients (APIs). The trifluoromethyl and bromo substituents offer versatile reaction sites for creating complex drug molecules.

Agrochemical Synthesis

Serves as a precursor for developing new pesticides and herbicides. Its structure can be incorporated into molecules designed for crop protection.

Organic Building Block

A fundamental reagent in fine chemical synthesis, enabling the introduction of the 3-(trifluoromethyl)phenyl moiety into target compounds via various coupling reactions.

Material Science Research

Investigated for potential applications in the development of novel materials due to its unique electronic and steric properties conferred by the trifluoromethyl group.

02 /Properties

Molecular weight	225.01
Linear formula	BrC6H4CF3
Assay	99%
Boiling point	151-152 °C(lit.)
Density	1.613 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.473(lit.)

03 /Safety & handling

GHS hazard pictogram: Flammable (GHS02) — Flammable

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

Warning

Hazard statements

H226Flammable liquid and vapour
H319Causes serious eye irritation

Precautionary statements

P305IF IN EYES

Protective equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point	43 °C / 109.4 °F
Transport (UN / ADR)	UN 1993C 3 / PGIII
Water hazard class (WGK, DE)	3
Risk statements (R)	10
Safety statements (S)	23-24/25

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

04 /Identifiers & registry

CAS number

401-78-5

MDL number

MFCD00000380

PubChem substance

24891876

Beilstein registry

1449557

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-Bromobenzotrifluoride primarily used for?

3-Bromobenzotrifluoride is primarily used as a building block in organic synthesis, particularly for the production of pharmaceuticals and agrochemicals.

What is the CAS number and chemical formula for 3-Bromobenzotrifluoride?

The CAS number for 3-Bromobenzotrifluoride is 401-78-5, and its chemical formula is BrC6H4CF3.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 3-Bromobenzotrifluoride with an assay of 99%. We do not represent this product as USP, BP, or EP grade.

How is 3-Bromobenzotrifluoride handled and shipped?

3-Bromobenzotrifluoride is a flammable liquid (Flash Point 43°C) and an eye irritant. Handle with appropriate personal protective equipment. It is shipped as a UN 1993, Class 3, Packing Group III hazardous material.