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

CAS: 59-50-7 Cat. No.: C103589 Fórmula: C₇H₇ClO Peso molecular: 142.58 Beilstein Registry Number: 1237629 Número EC: 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

Sinónimos

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

Especificaciones y pureza

analytical standard, ≥99.5%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Patrón analítico

Tipo de acción

ACTIVATOR

Pureza

≥99.5%(HPLC)

Nombres e identificadores

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

2

RTECS

GO7100000

Número ONU

2669(solution)3437(solid)

Grupo de embalaje

II

Peso molecular

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
    • Clase Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Aspergillus niger (16508 Activities)

Explore this target

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

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

Discover Target: ATP2A1

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

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

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, easily soluble in most organic solvents.
• Punto de inflamación (°F): 118 °C
• Punto de inflamación (°C): 118°C
• Punto de ebullición (°C): 235°C
• Punto de fusión (°C): 63-65°C
• Peso molecular: 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

Preguntas frecuentes

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.