2-Fluorocinnamic acid - ≥98% , CAS No.451-69-4

CAS: 451-69-4 Cat. No.: F101930 Molecular Weight: 166.15 Beilstein Registry Number: 9594 EC Number: 207-195-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2-Fluorocinnamic acid, 98% | IOUDZAFBPDDAMK-AATRIKPKSA- | NSC73989 | NSC-73989 | ortho-Fluorocinnamate | BRN 1863963 | EN300-344859 | DTXSID601274238 | (E)-3-(2-Fluorophenyl)acrylic acid | DTXSID9075408 | o-Fluorocinnamic acid | Cinnamic acid, o-fluoro- |
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
F101930-1g
8

$9.90

$14.90
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5g
F101930-5g
2

$13.90

$20.90
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25g
F101930-25g
7

$38.90

$58.90
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100g
F101930-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$131.90

$197.90
Save $66.00 (33.35%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
2-Fluorocinnamic acid, 98% | IOUDZAFBPDDAMK-AATRIKPKSA- | NSC73989 | NSC-73989 | ortho-Fluorocinnamate | BRN 1863963 | EN300-344859 | DTXSID601274238 | (E)-3-(2-Fluorophenyl)acrylic acid | DTXSID9075408 | o-Fluorocinnamic acid | Cinnamic acid, o-fluoro- |
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488191305
Canonical SmilesC1=CC=C(C(=C1)C=CC(=O)O)F
IUPAC Name(E)-3-(2-fluorophenyl)prop-2-enoic acid
InChIKeyIOUDZAFBPDDAMK-AATRIKPKSA-N
INCHI1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
Isomeric SMILES C1=CC=C(C(=C1)/C=C/C(=O)O)F
WGK Germany 3
RTECS GD9081000
Molecular Weight 166.15
Beilstein 9594
Reaxy-Rn 1863963
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863963&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
SubclassCinnamic acids
Intermediate Tree Nodes Not available
Direct ParentCinnamic acids
Alternative Parents Styrenes  Fluorobenzenes  Aryl fluorides  Monocarboxylic acids and derivatives  Carboxylic acids  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Cinnamic acid - Styrene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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
L1411058Certificate of AnalysisJun 11, 2026 F101930
C1828131Certificate of AnalysisOct 14, 2025 F101930
C1828132Certificate of AnalysisOct 14, 2025 F101930
D2312041Certificate of AnalysisSep 16, 2022 F101930
D2312046Certificate of AnalysisJan 27, 2022 F101930
Chemical and Physical Properties
Melt Point(°C)178-180°C
Molecular Weight166.150 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.043 Da
Monoisotopic Mass166.043 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity189.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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