4-Chloro-3-methylphenol - analytical standard, ≥99.5%(HPLC) , CAS No.59-50-7

CAS: 59-50-7 Cat. No.: C103589 Molecular Weight: 142.58 Beilstein Registry Number: 1237629 EC Number: 200-431-6
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.5%(HPLC)
Synonyms
CHLOROCRESOL [MI] | Chlorocresolum [INN-Latin] | p-Chloro-m-cresol | P-CHLORO-M-CRESOL [INCI] | SPBio_000003 | Parol | CHLOROCRESOL [EP MONOGRAPH] | Lysochlor | NSC756680 | p-Chlor-m-cresol | PCMC | UNII-36W53O7109 | 2-Chloro-5-hydroxytoluene | KBio2_0031
Storage
Room temperature
Shipped In
FedEx DG Service
Size
Status
Price
Qty
5g
C103589-5g
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Why this grade

analytical standard, ≥99.5%(HPLC) Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
CHLOROCRESOL [MI] | Chlorocresolum [INN-Latin] | p-Chloro-m-cresol | P-CHLORO-M-CRESOL [INCI] | SPBio_000003 | Parol | CHLOROCRESOL [EP MONOGRAPH] | Lysochlor | NSC756680 | p-Chlor-m-cresol | PCMC | UNII-36W53O7109 | 2-Chloro-5-hydroxytoluene | KBio2_0031
Specifications & Purity
analytical standard, ≥99.5%(HPLC)
Storage
Room temperature
Shipped In
FedEx DG Service
Grade
Analytical standard
Action Type
ACTIVATOR
Purity
≥99.5%(HPLC)
Names and Identifiers
Canonical SmilesCC1=C(C=CC(=C1)O)Cl
IUPAC Name4-chloro-3-methylphenol
InChIKeyCFKMVGJGLGKFKI-UHFFFAOYSA-N
INCHI1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
Isomeric SMILES CC1=C(C=CC(=C1)O)Cl
WGK Germany 2
RTECS GO7100000
UN Number 2669(solution)3437(solid)
Packing Group II
Molecular Weight 142.58
Beilstein 1237629
Reaxy-Rn 1237629
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237629&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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassCresols
Intermediate Tree Nodes Not available
Direct ParentMeta cresols
Alternative Parents P-chlorophenols  Toluenes  Chlorobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl chlorides  Organooxygen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 4-halophenol - M-cresol - 4-chlorophenol - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Organohalogen compound - Organic oxygen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
External Descriptors hydroxytoluene
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATP2A1 Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (121 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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.

2 results found

Lot NumberCertificate TypeDateItem
G2530635Certificate of AnalysisJun 26, 2025 C103589
E1214013Certificate of AnalysisJan 21, 2022 C103589
Chemical and Physical Properties
SolubilityInsoluble in water, easily soluble in most organic solvents.
Flash Point(°F)118 °C
Flash Point(°C)118°C
Boil Point(°C)235°C
Melt Point(°C)63-65°C
Molecular Weight142.580 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass142.019 Da
Monoisotopic Mass142.019 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.900
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
Citations of This Product
References
1. Xin Li, Yuling Shan, Xiaolei Zhang, Shilei Zhao, Wenlong Yu, Yibin Liu, Hongrui Shang, Peilong Tang, Shusen Wang, Junwei Ding.  (2021)  Waste eliminated by waste under COVID-19 pandemic: Mixed plastic waste derived N,O-rich porous carbon nano-coral reefs for chlorophenol pollutants efficient capture.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2021.106700]
2. Wenxue Xu, Yufeng Hu, Minghuo Wu, Enming Miao, Hao Zhou, Xuwang Zhang, Jingjing Zhan.  (2021)  Determination of phenolic compounds in estuary water and sediment by solid-phase isotope dansylation coupled with liquid chromatography-high resolution mass spectrometry.  Analytical Methods,  13  (11): (1404-1411).  [PMID:33666211] [10.1039/D1AY00079A]
3. Xinhong Yu, Wei Zhou, Zilin Chen.  (2017)  In situ immobilization of layered double hydroxides as stationary phase for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29153915] [10.1016/j.chroma.2017.11.021]
4. Yue Zhang, Zhiyong Li, Huiyong Wang, Xiaopeng Xuan, Jianji Wang.  (2016)  Efficient separation of phenolic compounds from model oil by the formation of choline derivative-based deep eutectic solvents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2016.03.014]
5. Zhangping Xu, Xiaoming Chen, Sai Mi, Jianming Zheng, Chunye Xu.  (2015)  Solution-processable electrochromic red-to-transmissive polymers with tunable neutral state colors, high contrast and enhanced stability.  ORGANIC ELECTRONICS,      [PMID:] [10.1016/j.orgel.2015.07.036]
6. Juan Zhang, Wenpeng Zhang, Tao Bao, Zilin Chen.  (2013)  Mussel-inspired polydopamine-assisted hydroxyapatite as the stationary phase for capillary electrochromatography.  ANALYST,  139  (1): (242-250).  [PMID:24195104] [10.1039/C3AN01668D]
7. Ning Zhu, Zhichen Liu, Qiulin Zhang, Man He, Beibei Chen, Bin Hu.  (2025)  3D Printed Clear Resin Stir Bar Sorptive Extraction Coupled with High Performance Liquid Chromatography for Trace Chlorophenols Analysis in Environmental Water Samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39855022] [10.1016/j.chroma.2025.465693]
8. Yang Zheng, Tongkui Yue, Guanghui Cui, Yi Sun, Wei Liu, Jun Liu, Zhanpeng Wu.  (2025)  Synthesis of Chlorinated Polyphosphazenes with Improved Interfacial Strength for Novel Flexible Heat Shielding Materials.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c00137]
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