4-Bromo-2-tert-butylphenol - ≥95%(GC) , CAS No.10323-39-4

CAS: 10323-39-4 Cat. No.: B152850 Peso molecular: 229.12 Número EC: 806-942-6

GRADE & PURITY ≥95%(GC)

Synonyms

2-tert-butyl-4-bromophenol | SY008171 | 3-tert-butyl-4-hydroxybromobenzene | 2-Tert-butyl-4-bromophenol;Phenol, 4-bromo-2-(1,1-dimethylethyl)- | FT-0710869 | DTXSID60145704 | Z1269183272 | 4-Bromo-2-t-butyl phenol | A896574 | EN300-141690 | MB00881 | AMY9

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-tert-butyl-4-bromophenol | SY008171 | 3-tert-butyl-4-hydroxybromobenzene | 2-Tert-butyl-4-bromophenol;Phenol, 4-bromo-2-(1, 1-dimethylethyl)- | FT-0710869 | DTXSID60145704 | Z1269183272 | 4-Bromo-2-t-butyl phenol | A896574 | EN300-141690 | MB00881 | AMY9

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504756351
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756351
• Sonrisas canónicas: CC(C)(C)C1=C(C=CC(=C1)Br)O
• IUPAC Name: 4-bromo-2-tert-butylphenol
• InChIKey: IKMJSWBFODAWTC-UHFFFAOYSA-N
• INCHI: 1S/C10H13BrO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3
• Isómeros SMILES: CC(C)(C)C1=C(C=CC(=C1)Br)O
• Peso molecular: 229.12
• Reaxy-Rn: 2359343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2359343&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: P-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

Propiedades químicas y físicas

• Sensibilidad: Air and Heat sensitive
• Índice de refracción: 1.5590 to 1.5630
• Punto de inflamación (°C): 106 °C
• Peso molecular: 229.110 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.015 Da
• Monoisotopic Mass: 228.015 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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