4-Brom-2,5-dimethylphenol - ≥98% , CAS No.85223-93-4

CAS: 85223-93-4 Cat. No.: B187115 Summenformel: C₈H₉BrO Molekulargewicht: 201.06 EG-Nummer: 689-859-6

QUALITÄT & REINHEIT ≥98%

Synonyms

2,5-dimethyl-4-bromophenol | SCHEMBL282020 | Z1269153764 | DTXSID60553562 | FT-0646607 | AC-23743 | J-514608 | AKOS015835415 | MFCD00029746 | AM20080750 | DS-10522 | 2,5-Dimethyl-4-bromphenol | N10387 | A841267 | SY101543 | 2,5-dimethyl-4-hydroxybromobenz

Storage

Raumtemperatur

Shipped In

Normal

Spezifikationen

Synonyme

2,5-dimethyl-4-bromophenol | SCHEMBL282020 | Z1269153764 | DTXSID60553562 | FT-0646607 | AC-23743 | J-514608 | AKOS015835415 | MFCD00029746 | AM20080750 | DS-10522 | 2,5-Dimethyl-4-bromphenol | N10387 | A841267 | SY101543 | 2,5-dimethyl-4-hydroxybromobenz

Spezifikationen & Reinheit

≥98%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528760565

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760565

Kanonisches Lächeln

CC1=CC(=C(C=C1Br)C)O

IUPAC Name

4-bromo-2,5-dimethylphenol

InChIKey

LZKYUWXZSBYMSA-UHFFFAOYSA-N

INCHI

1S/C8H9BrO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3

Isomere SMILES

CC1=CC(=C(C=C1Br)C)O

Molekulargewicht

201.06

Reaxy-Rn

3235785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes
        • Ebene5 Xylenols
          • Ebene6 p-Xylenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Xylenols
• Direct Parent: p-Xylenols
• Alternative Parents: p-Xylenes P-bromophenols Ortho cresols Meta cresols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylenol - P-xylene - 4-bromophenol - O-cresol - 4-halophenol - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-xylenols. These are aromatic compounds that contain a p-xylenol moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions, and at least one hydroxyl group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive
• Molekulargewicht: 201.060 g/mol
• XLogP3: 3.000
• 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: 116.000
• 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