(4-chloro-3-methyl-phenoxy)-acetic acid - ≥97% , CAS No.588-20-5

CAS: 588-20-5 Cat. No.: C479218 Molecular Weight: 200.62 EC Number: 806-070-6
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
Glycopyrronium bromide, threo- | AKOS000114558 | Acetic acid, ((4-chloro-m-tolyl)oxy)- | N,N,N',N'-Tetramethyl-O-(7-azabenzotriazol-1-yl)uronium hexafluorophosphate | 3-methyl-4-chlorophenoxyacetic acid | DTXSID10207523 | FBGYNJKXMKWETB-UHFFFAOYSA-N | VS-
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
C479218-50mg
3

$9.90

$14.90
Save $5.00 (33.56%)
250mg
C479218-250mg
3

$29.90

$44.90
Save $15.00 (33.41%)
1g
C479218-1g
1

$94.90

$142.90
Save $48.00 (33.59%)
5g
C479218-5g
1

$271.90

$407.90
Save $136.00 (33.34%)
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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.

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Literature proof

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

Specifications

Synonyms
Glycopyrronium bromide, threo- | AKOS000114558 | Acetic acid, ((4-chloro-m-tolyl)oxy)- | N, N, N', N'-Tetramethyl-O-(7-azabenzotriazol-1-yl)uronium hexafluorophosphate | 3-methyl-4-chlorophenoxyacetic acid | DTXSID10207523 | FBGYNJKXMKWETB-UHFFFAOYSA-N | VS-
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1=C(C=CC(=C1)OCC(=O)O)Cl
IUPAC Name2-(4-chloro-3-methylphenoxy)acetic acid
InChIKeyFBGYNJKXMKWETB-UHFFFAOYSA-N
INCHI1S/C9H9ClO3/c1-6-4-7(2-3-8(6)10)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
Isomeric SMILES CC1=C(C=CC(=C1)OCC(=O)O)Cl
Molecular Weight 200.62
Reaxy-Rn 1963793
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963793&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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenoxyacetic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentChlorophenoxyacetates
Alternative Parents Phenoxy compounds  Phenol ethers  Toluenes  Chlorobenzenes  Alkyl aryl ethers  Aryl chlorides  Monocarboxylic acids and derivatives  Carboxylic acids  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Chlorophenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as chlorophenoxyacetates. These are compounds containing a phenoxyacetate that carries one or more chlorine atoms on the benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2 Tclin Apoptosis regulator Bcl-2 (3787 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.

3 results found

Lot NumberCertificate TypeDateItem
I2526250Certificate of AnalysisJul 24, 2025 C479218
I2526251Certificate of AnalysisJul 24, 2025 C479218
I2526252Certificate of AnalysisJul 24, 2025 C479218
Chemical and Physical Properties
Melt Point(°C)176 °C
Molecular Weight200.620 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass200.024 Da
Monoisotopic Mass200.024 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count13
Formal Charge0
Complexity184.000
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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