4-Bromo-2,6-dichlorophenol - ≥98% , CAS No.3217-15-0

CAS: 3217-15-0 Cat. No.: B183675 Peso molecular: 241.9 Número EC: 221-740-2

GRADE & PURITY ≥98%

Synonyms

STL556051 | RB3257 | Phenol, 4-bromo-2,6-dichloro- | Z384970716 | AKOS005288309 | 4-Bromo-2.6-Dichlorophenol | SCHEMBL442971 | 4-BROMO-2,6-DICHLOROPHENOL | 4-Bromo-2,6-dichloro-phenol | MFCD00019996 | FT-0634726 | NSC74624 | NSC-74624 | KGURSDWHGSLAPP-UHF

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

STL556051 | RB3257 | Phenol, 4-bromo-2, 6-dichloro- | Z384970716 | AKOS005288309 | 4-Bromo-2.6-Dichlorophenol | SCHEMBL442971 | 4-BROMO-2, 6-DICHLOROPHENOL | 4-Bromo-2, 6-dichloro-phenol | MFCD00019996 | FT-0634726 | NSC74624 | NSC-74624 | KGURSDWHGSLAPP-UHF

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752895
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752895
• Sonrisas canónicas: C1=C(C=C(C(=C1Cl)O)Cl)Br
• IUPAC Name: 4-bromo-2,6-dichlorophenol
• InChIKey: KGURSDWHGSLAPP-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
• Isómeros SMILES: C1=C(C=C(C(=C1Cl)O)Cl)Br
• Peso molecular: 241.9
• Reaxy-Rn: 2046857
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: P-bromophenols O-chlorophenols Bromobenzenes Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 4-bromophenol - 2-chlorophenol - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Aryl chloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Solubilidad: soluble in MeOH
• Sensibilidad: Air sensitive
• Punto de ebullición (°C): 266 °C
• Punto de fusión (°C): 64 °C
• Peso molecular: 241.890 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 239.874 Da
• Monoisotopic Mass: 239.874 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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

Referencias

1. Aimin Li, Xiaolan Huang, Ling Yan, Jing Cheng.  (2022)  Pseudo-template molecularly imprinted polymeric fiber solid-phase microextraction coupled to gas chromatography for ultrasensitive determination of 2,4,6-trihalophenol disinfection by-products.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35872535] [10.1016/j.chroma.2022.463322]

2. Yaohua Wu, Huazhe Wang, Juanshan Du, Yi Hu, Qinglian Wu, Wanqian Guo, Wonyong Choi.  (2024)  Simultaneous Oxidation of Bromide and Dissolution of Manganese Oxide Induced by Freezing.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39316547] [10.1021/acs.est.4c07493]

3. Kai Wu, Shubing Yang, Jianren Ouyang, Yue Sun, Zhaojie Wang, Peizeng Yang, Yuefei Ji, Jing Chen, Junhe Lu.  (2026)  Freezing-enhanced peracetic acid oxidation of 4-chlorophenol in the presence of bromide: Kinetics, free-bromine formation, and disinfection by-products.  Journal of Environmental Chemical Engineering,  14  (2): (122147).  [PMID:] [10.1016/j.jece.2026.122147]