3-Bromo-5-methylphenol - ≥97% , CAS No.74204-00-5

CAS: 74204-00-5 Cat. No.: B186360 Fórmula: C₇H₇BrO Peso molecular: 187.03 Número EC: 801-065-5

GRADE & PURITY ≥97%

Synonyms

5-Brom-m-kresol | MB06890 | SCHEMBL1013954 | 5-BROMO-3-HYDROXYTOLUENE | 3-Bromo-5-hydroxytoluene; 5-Bromo-3-hydroxytoluene; 5-Bromo-3-methylphenol | J-512038 | SY030548 | Phenol, 3-bromo-5-methyl- | A19897 | AM82865 | EN300-203279 | DTXSID10505632 | FT-07

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Brom-m-kresol | MB06890 | SCHEMBL1013954 | 5-BROMO-3-HYDROXYTOLUENE | 3-Bromo-5-hydroxytoluene; 5-Bromo-3-hydroxytoluene; 5-Bromo-3-methylphenol | J-512038 | SY030548 | Phenol, 3-bromo-5-methyl- | A19897 | AM82865 | EN300-203279 | DTXSID10505632 | FT-07

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488198204

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198204

Sonrisas canónicas

CC1=CC(=CC(=C1)Br)O

IUPAC Name

3-bromo-5-methylphenol

InChIKey

OTUYBYTUBWJBLO-UHFFFAOYSA-N

INCHI

1S/C7H7BrO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3

Isómeros SMILES

CC1=CC(=CC(=C1)Br)O

Peso molecular

187.03

Reaxy-Rn

3233753

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3233753&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: M-bromophenols Toluenes Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halophenol - 3-bromophenol - M-cresol - Bromobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Organohalogen compound - Organobromide - 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: 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

Propiedades químicas y físicas

• Peso molecular: 187.030 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.968 Da
• Monoisotopic Mass: 185.968 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

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 74204-00-5, the molecular formula is C7H7BrO, and the molecular weight is 187.03 g/mol. InChIKey OTUYBYTUBWJBLO-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.