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

CAS: 59-50-7 Cat. No.: C103589 분자식: C₇H₇ClO 분자량: 142.58 Beilstein Registry Number: 1237629 EC 번호: 200-431-6

GRADE & PURITY Analytical standard, ≥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

Specifications

동의어

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

사양 및 순도

analytical standard, ≥99.5%(HPLC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

작업 유형

ACTIVATOR

순수함

≥99.5%(HPLC)

이름과 식별자

정식 스마일

CC1=C(C=CC(=C1)O)Cl

IUPAC Name

4-chloro-3-methylphenol

InChIKey

CFKMVGJGLGKFKI-UHFFFAOYSA-N

INCHI

1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3

이성체 SMILES

CC1=C(C=CC(=C1)O)Cl

WGK 독일

2

RTECS

GO7100000

UN 번호

2669(solution)3437(solid)

포장 그룹

II

분자량

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Meta cresols
• Alternative Parents: P-chlorophenols Toluenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic 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
• 설명: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

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Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

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Aspergillus niger (16508 Activities)

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ATP2A1 Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (121 Activities)

Discover Target: ATP2A1

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rep Replicase polyprotein 1ab (378 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, easily soluble in most organic solvents.
• 발화점(°F): 118 °C
• 발화점(°C): 118°C
• 끓는점(°C): 235°C
• 녹는점(°C): 63-65°C
• 분자량: 142.580 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.019 Da
• Monoisotopic Mass: 142.019 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99.5% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 59-50-7, the molecular formula is C7H7ClO, and the molecular weight is 142.58 g/mol. InChIKey CFKMVGJGLGKFKI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.