3-Hydroxy-5-(trifluoromethyl)benzoic acid - ≥98% , CAS No.328-69-8

CAS: 328-69-8 Cat. No.: H123899 Molecular Weight: 206.12 EC Number: 630-027-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
3-Hydroxy-5-(trifluoromethyl)?benzoic acid | AC-26052 | AB32076 | 3-hydroxy-5-(trifluoromethyl)benzoicAcid | MFCD07368783 | 3-Hydroxy-5-trifluoromethylbenzoic acid | 3-Hydroxy-5-trifluoromethyl-benzoic acid | BBL101599 | Z1269199787 | 3-hydroxy-5-(trifluo
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
H123899-5g
1

$48.90

$73.90
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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
3-Hydroxy-5-(trifluoromethyl)?benzoic acid | AC-26052 | AB32076 | 3-hydroxy-5-(trifluoromethyl)benzoicAcid | MFCD07368783 | 3-Hydroxy-5-trifluoromethylbenzoic acid | 3-Hydroxy-5-trifluoromethyl-benzoic acid | BBL101599 | Z1269199787 | 3-hydroxy-5-(trifluo
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488193919
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488193919
Canonical SmilesC1=C(C=C(C=C1C(F)(F)F)O)C(=O)O
IUPAC Name3-hydroxy-5-(trifluoromethyl)benzoic acid
InChIKeyBJUOAPFXYPEEMK-UHFFFAOYSA-N
INCHI1S/C8H5F3O3/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3,12H,(H,13,14)
Isomeric SMILES C1=C(C=C(C=C1C(F)(F)F)O)C(=O)O
Molecular Weight 206.12
Reaxy-Rn 2940510
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940510&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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentHydroxybenzoic acid derivatives
Alternative Parents Trifluoromethylbenzenes  Benzoic acids  Benzoyl derivatives  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Trifluoromethylbenzene - Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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.

1 results found

Lot NumberCertificate TypeDateItem
C2017043Certificate of AnalysisJan 17, 2024 H123899
Chemical and Physical Properties
Melt Point(°C)191-193°C
Molecular Weight206.120 g/mol
XLogP32.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass206.019 Da
Monoisotopic Mass206.019 Da
Topological Polar Surface Area57.500 Ų
Heavy Atom Count14
Formal Charge0
Complexity226.000
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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