5-Chloro-2-methoxyphenol - ≥97% , CAS No.3743-23-5

CAS: 3743-23-5 Cat. No.: C193052 Formule: C₇H₇ClO₂ Poids moléculaire: 158.58 Numéro CE: 824-172-9

GRADE & PURITY ≥97%

Synonyms

5-Chloro-2-methoxyphenol # | FT-0723872 | MFCD11100133 | 3-chloro-6-methoxyphenol | 5-chloro-2-methoxy phenol | CL9604 | 5-Chloro-guaiacol | BBL103558 | MB09234 | SY035275 | EN300-129246 | 5-chloro-2-methoxy phenol, AldrichCPR | DTXSID60190875 | SCHEMBL54

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

5-Chloro-2-methoxyphenol # | FT-0723872 | MFCD11100133 | 3-chloro-6-methoxyphenol | 5-chloro-2-methoxy phenol | CL9604 | 5-Chloro-guaiacol | BBL103558 | MB09234 | SY035275 | EN300-129246 | 5-chloro-2-methoxy phenol, AldrichCPR | DTXSID60190875 | SCHEMBL54

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488190492
• Sourires canoniques: COC1=C(C=C(C=C1)Cl)O
• IUPAC Name: 5-chloro-2-methoxyphenol
• InChIKey: HIWHLFQMDDWLRB-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
• Isomères SMILES: COC1=C(C=C(C=C1)Cl)O
• Poids moléculaire: 158.58
• Reaxy-Rn: 2085563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes M-chlorophenols Anisoles Chlorobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Anisole - 3-halophenol - 3-chlorophenol - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Poids moléculaire: 158.580 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.013 Da
• Monoisotopic Mass: 158.013 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3743-23-5, the molecular formula is C7H7ClO2, and the molecular weight is 158.58 g/mol. InChIKey HIWHLFQMDDWLRB-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.