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3-Iodobenzotrifluoride

CAS 401-81-0IC6H4CF3Chemical Synthesis

3-Iodobenzotrifluoride (CAS: 401-81-0, Formula: IC6H4CF3, MW: 272.01) is a halogenated aromatic organic compound supplied by Tech Serve Solutions. This versatile building block is primarily utilised in chemical synthesis and research applications. It is a key intermediate in the creation of more complex organic molecules, including specialised porphyrins, and is available in high purity for demanding laboratory and industrial processes.

IUPAC
3-Iodo-α,α,α-trifluorotoluene
Synonyms
3-Iodo-alpha,alpha,alpha-trifluorotoluene
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3-Iodobenzotrifluoride (IC6H4CF3) — chemical structure, CAS 401-81-0; Chemistry, fine chemical supplied by Tech Serve Solutions
ArylBuilding BlocksChemical SynthesisHalogenated Hydrocarbons
01 /Applications

Organic Synthesis Intermediate

3-Iodobenzotrifluoride serves as a valuable intermediate in the synthesis of complex organic compounds. Its trifluoromethyl and iodo groups offer reactive sites for various coupling and substitution reactions, enabling the construction of diverse molecular architectures.

Preparation of Porphyrins

This compound has been employed in the preparation of specific porphyrin derivatives, such as zinc 5,10,15,20-tetrakis(3-(trifluoromethyl)phenylethynyl)porphyrin. These complex molecules find applications in areas like photodynamic therapy and materials science.

Research and Development

As a halogenated building block, 3-Iodobenzotrifluoride is utilised in academic and industrial research laboratories for exploring new synthetic methodologies and developing novel chemical entities with unique properties.

02 /Properties
Molecular weight272.01
Linear formulaIC6H4CF3
Assay98%
Boiling point82-82.5 °C/25 mmHg(lit.)
Density1.887 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.517(lit.)
Application3-Iodobenzotrifluoride was used in the preparation of zinc 5,10,15,20-tetrakis(3-(trifluoromethyl)phenylethynyl)porphyrin1.
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
Danger

Hazard statements

  • H314Causes severe skin burns and eye damage

Precautionary statements

  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentFaceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point70 °C / 158 °F
Transport (UN / ADR)UN 3265 8 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)C
Risk statements (R)34
Safety statements (S)26-27-36/37/39-45

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

04 /Identifiers & registry
CAS number
401-81-0
MDL number
MFCD00001049
PubChem substance
24852409
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-Iodobenzotrifluoride used for?

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3-Iodobenzotrifluoride is used as a chemical intermediate in organic synthesis, particularly in the preparation of specialised porphyrin derivatives and as a building block in research and development for creating new chemical entities.

What are the CAS number and chemical formula for 3-Iodobenzotrifluoride?

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The CAS number is 401-81-0 and the chemical formula is IC6H4CF3.

What grade and purity does Tech Serve Solutions supply for 3-Iodobenzotrifluoride?

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Tech Serve Solutions supplies 3-Iodobenzotrifluoride with an assay of 98%. We do not represent this product as USP, BP, EP or other pharmacopoeial grades unless explicitly stated in the product specifications.

How should 3-Iodobenzotrifluoride be handled safely?

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3-Iodobenzotrifluoride is classified as Danger (GHS05) and causes severe skin burns and eye damage (H314). Handling requires appropriate personal protective equipment, including faceshields, gloves, goggles, and a suitable respirator. Always consult the Safety Data Sheet (SDS) before use.

Is 3-Iodobenzotrifluoride shipped internationally?

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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, and 3-Iodobenzotrifluoride is available for international shipment, subject to relevant regulations.

How can I request a quote or sample for 3-Iodobenzotrifluoride?

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To request a quote or sample of 3-Iodobenzotrifluoride, please contact our sales team through the website or by phone, providing your specific requirements and shipping details.

Need 3-Iodobenzotrifluoride in a specific grade or volume?