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Carboxylic acids and anhydrides

3-(3-Fluorophenyl)propionic acid

Also known as 3-(3-fluorophenyl)propanoic acid, 3-Fluorohydrocinnamic acid, 3-Fluorophenylpropionic acid

CAS 458-45-7Formula C9H9FO2Molar mass 168.17 g/molEC 626-825-1
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant 4 suppliers listed
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3-(3-Fluorophenyl)propionic acid chemical structure, C9H9FO2, CAS 458-45-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
458-45-7
Formula
C9H9FO2
Molar mass
168.17 g/mol
EC number
626-825-1
HS code
291639
Category
Carboxylic acids and anhydrides

What is 3-(3-Fluorophenyl)propionic acid?

Plain description, key identifiers and synonyms

3-(3-Fluorophenyl)propionic acid is a chemical substance with the molecular formula C9H9FO2 and a molar mass of 168.17 g/mol. Its CAS registry number is 458-45-7. The IUPAC name is 3-(3-fluorophenyl)propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(3-fluorophenyl)propanoic acid
CAS number
458-45-7 CAS number cross-checked
EC number
626-825-1
Molecular formula
C9H9FO2
MDL number
MFCD01310821
InChIKey
UBLMRADOKLXLCD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
SMILES (canonical and isomeric)
C1=CC(=CC(=C1)F)CCC(=O)O

Synonyms

  • 3-(3-fluorophenyl)propanoic acid
  • 3-Fluorohydrocinnamic acid
  • 3-Fluorophenylpropionic acid
  • 3-(3-Fluoro-phenyl)-propionic acid
  • Benzenepropanoic acid, 3-fluoro-
  • 3-(3-Fluorophenyl) propionic acid
  • 3-Fluoro-benzenepropanoic acid
  • 3-(3-Fluorophenyl)propionic acid, 97%

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
168.17 g/molcalc.
Exact mass
168.0587 Dacalc.
LogP (octanol/water)
1.84calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.22calc.
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

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

3-(3-Fluorophenyl)propionic acid suppliers

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All 4 suppliers
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Where suppliers are based

4 suppliers in 3 countries

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3-(3-Fluorophenyl)propionic acid price

Indicative price range per kg from live supplier offers

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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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Added by a premanufacture notice, significant new use rule, section 5(e) order

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-(3-Fluorophenyl)propionic acid is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$706M
−6.8% vs 2023, imports $714M
2019 to 2024
Top exporters
  1. China49.0%
  2. India * partner reported16.2%
  3. Germany13.2%
Top importers
  1. India * partner reported14.5%
  2. United States12.2%
  3. Germany8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-(3-Fluorophenyl)propionic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-(3-Fluorophenyl)propionic acid, based on the data on this page

What is 3-(3-Fluorophenyl)propionic acid?

3-(3-Fluorophenyl)propionic acid is a chemical substance with the molecular formula C9H9FO2 and a molar mass of 168.17 g/mol. Its CAS registry number is 458-45-7. The IUPAC name is 3-(3-fluorophenyl)propanoic acid.

What is the CAS number of 3-(3-Fluorophenyl)propionic acid?

The CAS registry number of 3-(3-Fluorophenyl)propionic acid is 458-45-7.

What is the molecular formula and weight of 3-(3-Fluorophenyl)propionic acid?

The molecular formula of 3-(3-Fluorophenyl)propionic acid is C9H9FO2 and its molar mass is 168.17 g/mol.

What is 3-(3-Fluorophenyl)propionic acid used for?

Known uses and roles of 3-(3-Fluorophenyl)propionic acid include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-(3-Fluorophenyl)propionic acid hazardous?

3-(3-Fluorophenyl)propionic acid carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-(3-Fluorophenyl)propionic acid?

3-(3-Fluorophenyl)propionic acid is usually classified under HS code 291639 (Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-(3-Fluorophenyl)propionic acid?

CompoundList lists 4 suppliers of 3-(3-Fluorophenyl)propionic acid in China, Germany and Slovakia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3-(3-Fluorophenyl)propionic acid?

Suppliers quote 3-(3-Fluorophenyl)propionic acid 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 3-(3-Fluorophenyl)propionic acid

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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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