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3-(Trifluoromethyl)phenol

CAS 98-17-9CF3C6H4OHChemical Synthesis

3-(Trifluoromethyl)phenol (CAS: 98-17-9; Formula: CF3C6H4OH) is a fluorinated aromatic organic compound with a molecular weight of 162.11 g/mol. Supplied by Tech Serve Solutions as a 'purum' grade with 99% assay, it serves as a valuable building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals due to the influence of the trifluoromethyl group on molecular properties.

IUPAC
α,α,α-Trifluoro-m-cresol,3-Hydroxybenzotrifluoride
Synonyms
α,α,α-Trifluoro-m-cresol3-Hydroxybenzotrifluoride
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3-(Trifluoromethyl)phenol (CF3C6H4OH) — chemical structure, CAS 98-17-9; Chemistry, fine chemical supplied by Tech Serve Solutions
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01 /Applications

Pharmaceutical Intermediate

3-(Trifluoromethyl)phenol is employed in the synthesis of various active pharmaceutical ingredients (APIs). The trifluoromethyl group can enhance lipophilicity and metabolic stability of drug candidates.

Agrochemical Synthesis

This compound acts as a key intermediate in the production of pesticides and herbicides. Its structure allows for the introduction of the trifluoromethyl moiety into complex agrochemical molecules.

Material Science

It can be utilised in the development of specialised polymers and materials where the unique electronic properties conferred by the trifluoromethyl group are desired.

Organic Synthesis Reagent

As a versatile building block, 3-(Trifluoromethyl)phenol is used in a range of organic transformations and for the synthesis of fluorinated organic compounds.

02 /Properties
Molecular weight162.11
Linear formulaCF3C6H4OH
Assay99%
Gradepurum
Boiling point178-179 °C(lit.)
Density1.333 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.458(lit.)
Melting point−2-−1.8 °C(lit.)
Vapour pressure0.56 mmHg (40 °C)
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 equipmentEyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point73 °C / 163.4 °F
Transport (UN / ADR)NA 1993 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xi
Risk statements (R)37/38-41
Safety statements (S)26-39

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

04 /Identifiers & registry
CAS number
98-17-9
MDL number
MFCD00002299
PubChem substance
24879020
Beilstein registry
2045663
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-(Trifluoromethyl)phenol used for?

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3-(Trifluoromethyl)phenol is primarily used as a building block in pharmaceutical and agrochemical synthesis, as well as in material science and general organic synthesis.

What are the CAS number and formula for 3-(Trifluoromethyl)phenol?

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The CAS number is 98-17-9 and the molecular formula is CF3C6H4OH.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 3-(Trifluoromethyl)phenol with a specified assay of 99% and a 'purum' grade. We do not represent this product as USP, BP, or EP grade.

How should 3-(Trifluoromethyl)phenol be handled safely?

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Handling requires appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, as it can cause skin irritation, eye irritation, and respiratory irritation (H315-H319-H335).

Is 3-(Trifluoromethyl)phenol controlled or scheduled?

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Based on the provided data, there is no indication that 3-(Trifluoromethyl)phenol is a controlled or scheduled substance.

How is 3-(Trifluoromethyl)phenol packed and exported?

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Tech Serve Solutions, as a global supplier, can pack and export 3-(Trifluoromethyl)phenol according to international shipping regulations (RID/ADR: NA 1993 / PGIII).

How can I request a quote or sample?

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To request a quote or a sample of 3-(Trifluoromethyl)phenol, please contact our sales department through the TSS website or direct inquiry.

Need 3-(Trifluoromethyl)phenol in a specific grade or volume?