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

CAS: 59-50-7 Cat. No.: C103589 Formule: C₇H₇ClO Poids moléculaire: 142.58 Beilstein Registry Number: 1237629 Numéro CE: 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

Synonymes

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

Spécifications et pureté

analytical standard, ≥99.5%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Étalon d'analyse

Type d'action

ACTIVATOR

Pureté

≥99.5%(HPLC)

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

GO7100000

Numéro ONU

2669(solution)3437(solid)

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, easily soluble in most organic solvents.
• Point d'éclair (°F): 118 °C
• Point d'éclair (°C): 118°C
• Point d'ébullition (°C): 235°C
• Point de fusion (°C): 63-65°C
• Poids moléculaire: 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

Foire aux questions

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.