Acetic Acid 4-Fluorophenyl acetate - ≥97% , CAS No.405-51-6

CAS: 405-51-6 Cat. No.: A124503 Molecular Weight: 154.14 Beilstein Registry Number: 1864956 EC Number: 609-847-6
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AMY3978 | MFCD00041361 | SCHEMBL660921 | SY016072 | Acetic Acid 4-Fluorophenyl Ester | InChI=1/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3 | Phenol, 4-fluoro-, acetate | p-fluorophenyl acetate | 4-Fluorophenyl acetate | (4-fluorophenyl) acetate | 4-FLUOR
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A124503-5g
3

$9.90

$14.90
Save $5.00 (33.56%)
25g
A124503-25g
1

$17.90

$26.90
Save $9.00 (33.46%)
100g
A124503-100g
2

$57.90

$86.90
Save $29.00 (33.37%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AMY3978 | MFCD00041361 | SCHEMBL660921 | SY016072 | Acetic Acid 4-Fluorophenyl Ester | InChI=1/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H, 1H3 | Phenol, 4-fluoro-, acetate | p-fluorophenyl acetate | 4-Fluorophenyl acetate | (4-fluorophenyl) acetate | 4-FLUOR
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504757059
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757059
Canonical SmilesCC(=O)OC1=CC=C(C=C1)F
IUPAC Name(4-fluorophenyl) acetate
InChIKeyZNOREXRHKZXVPC-UHFFFAOYSA-N
INCHI1S/C8H7FO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
Isomeric SMILES CC(=O)OC1=CC=C(C=C1)F
WGK Germany 3
Molecular Weight 154.14
Beilstein 1864956
Reaxy-Rn 1864956
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864956&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol esters
Alternative Parents Phenoxy compounds  Fluorobenzenes  Aryl fluorides  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenol ester - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
L2412701Certificate of AnalysisDec 20, 2024 A124503
L2424016Certificate of AnalysisDec 20, 2024 A124503
I2405229Certificate of AnalysisSep 12, 2024 A124503
I2405230Certificate of AnalysisSep 12, 2024 A124503
G1501095Certificate of AnalysisMar 09, 2023 A124503
Chemical and Physical Properties
Refractive Index1.48
Flash Point(°F)88 °C
Flash Point(°C)88°C
Boil Point(°C)197°C
Molecular Weight154.140 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass154.043 Da
Monoisotopic Mass154.043 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity139.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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