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Aromatic building blocks

Pentafluorophenyl formate

Also known as (2,3,4,5,6-pentafluorophenyl) formate, Perfluorophenyl formate, formic acid pentafluorophenyl ester

CAS 111333-97-2Formula C7HF5O2Molar mass 212.07 g/mol
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Pentafluorophenyl formate chemical structure, C7HF5O2, CAS 111333-97-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
111333-97-2
Formula
C7HF5O2
Molar mass
212.07 g/mol
HS code
291513
Category
Aromatic building blocks

What is Pentafluorophenyl formate?

Plain description, key identifiers and synonyms

Pentafluorophenyl formate is a chemical substance with the molecular formula C7HF5O2 and a molar mass of 212.07 g/mol. Its CAS registry number is 111333-97-2. The IUPAC name is (2,3,4,5,6-pentafluorophenyl) formate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2,3,4,5,6-pentafluorophenyl) formate
CAS number
111333-97-2
Molecular formula
C7HF5O2
MDL number
MFCD25955553
InChIKey
NOQPJZHAGRHCFW-UHFFFAOYSA-N
InChI
InChI=1S/C7HF5O2/c8-2-3(9)5(11)7(14-1-13)6(12)4(2)10/h1H
SMILES (canonical and isomeric)
C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

Synonyms

  • (2,3,4,5,6-pentafluorophenyl) formate
  • Perfluorophenyl formate
  • formic acid pentafluorophenyl ester
  • 2,3,4,5,6-pentafluorophenyl formate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
212.07 g/molcalc.
Exact mass
211.9897 Dacalc.
LogP (octanol/water)
1.92calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Pentafluorophenyl formate suppliers

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Pentafluorophenyl formate price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentafluorophenyl formate is traded under.

HS 2915.13Indicative HS code

Esters of formic acid

World exports in 2024
$35.7M
+18.4% vs 2023, imports $44.8M
2019 to 2024
Top exporters
  1. China21.7%
  2. India * partner reported17.9%
  3. United Kingdom15.7%
Top importers
  1. United States27.1%
  2. Saudi Arabia13.4%
  3. Brazil5.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Pentafluorophenyl formate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pentafluorophenyl formate, based on the data on this page

What is Pentafluorophenyl formate?

Pentafluorophenyl formate is a chemical substance with the molecular formula C7HF5O2 and a molar mass of 212.07 g/mol. Its CAS registry number is 111333-97-2. The IUPAC name is (2,3,4,5,6-pentafluorophenyl) formate.

What is the CAS number of Pentafluorophenyl formate?

The CAS registry number of Pentafluorophenyl formate is 111333-97-2.

What is the molecular formula and weight of Pentafluorophenyl formate?

The molecular formula of Pentafluorophenyl formate is C7HF5O2 and its molar mass is 212.07 g/mol.

What is Pentafluorophenyl formate used for?

Known uses and roles of Pentafluorophenyl formate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pentafluorophenyl formate hazardous?

No GHS hazard classification for Pentafluorophenyl formate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pentafluorophenyl formate?

Pentafluorophenyl formate is usually classified under HS code 291513 (Esters of formic acid). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentafluorophenyl formate?

Post a free request on CompoundList and suppliers of Pentafluorophenyl formate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pentafluorophenyl formate?

Suppliers quote Pentafluorophenyl formate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pentafluorophenyl formate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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