4-Bromo-2,6-dimethylphenol - ≥98%(GC) , CAS No.2374-05-2

CAS: 2374-05-2 Cat. No.: B152676 Formule: C₈H₉BrO Poids moléculaire: 201.06 Beilstein Registry Number: 6(3)1738 Numéro CE: 219-153-1

GRADE & PURITY ≥98%(GC)

Synonyms

4-Bromo-2,6-xylenol;2,6-dimethyl-4-bromophenol | BCP32422 | DTXSID9062354 | Phenol, 4-bromo-2,6-dimethyl- | SCHEMBL49544 | 4-Bromo-2,6-xylenol | NCGC00340463-01 | BRN 1862399 | PE2VSV8GBM | SY009034 | W-107379 | 4-bromanyl-2,6-dimethyl-phenol | J-800232 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

Iodine initiated polymerization of 4-bromo-2,6-xylenol in tetrahydrofuran solution has been investigated. 4-Bromo-2,6-xylenol on bromination in chloroform or carbobn tetrachloride yields 3,4-dibromo-2,6-xylenol and 3,4,5-tribromo-2,6-xylenol

Specifications

Synonymes

4-Bromo-2,6-xylenol;2,6-dimethyl-4-bromophenol | BCP32422 | DTXSID9062354 | Phenol, 4-bromo-2,6-dimethyl- | SCHEMBL49544 | 4-Bromo-2,6-xylenol | NCGC00340463-01 | BRN 1862399 | PE2VSV8GBM | SY009034 | W-107379 | 4-bromanyl-2,6-dimethyl-phenol | J-800232 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488182310
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182310
• Sourires canoniques: CC1=CC(=CC(=C1O)C)Br
• IUPAC Name: 4-bromo-2,6-dimethylphenol
• InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
• Isomères SMILES: CC1=CC(=CC(=C1O)C)Br
• RTECS: ZE6780000
• Poids moléculaire: 201.06
• Beilstein: 6(3)1738
• Reaxy-Rn: 1862399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862399&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: Ortho cresols
• Alternative Parents: m-Xylenes P-bromophenols Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - 4-bromophenol - O-cresol - 4-halophenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point de fusion (°C): 79 °C
• Poids moléculaire: 201.060 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 199.984 Da
• Monoisotopic Mass: 199.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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

Références

1. Chao Fang, Wenyuan Yang, Nannan Lu, Rong Xiao, Zhenqi Du, Qi Wang, Wenhai Chu.  (2023)  Alkaline chlorination of drinking water: A trade-off between genotoxicity control and trihalomethane formation.  WATER RESEARCH,      [PMID:37890262] [10.1016/j.watres.2023.120692]