4-Bromo-2,3-dimethylphenol - ≥98% , CAS No.22802-37-5

CAS: 22802-37-5 Cat. No.: B182986 Summenformel: C₈H₉BrO Molekulargewicht: 201.06 EG-Nummer: 172-289-2

GRADE & PURITY ≥98%

Synonyms

4-BROMO-2,3-DIMETHYLPHENOL | 4-bromo-2,3-dimethyl-phenol | A20624 | MOKFDXJOXUHQNO-UHFFFAOYSA-N | SY026366 | AMY28014 | MFCD07778969 | SB74530 | FT-0687040 | AS-31144 | DTXSID00553561 | SCHEMBL1765685 | AKOS024151907 | Phenol,4-bromo-2,3-dimethyl- | XAA80

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

4-BROMO-2,3-DIMETHYLPHENOL | 4-bromo-2,3-dimethyl-phenol | A20624 | MOKFDXJOXUHQNO-UHFFFAOYSA-N | SY026366 | AMY28014 | MFCD07778969 | SB74530 | FT-0687040 | AS-31144 | DTXSID00553561 | SCHEMBL1765685 | AKOS024151907 | Phenol,4-bromo-2,3-dimethyl- | XAA80

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C=CC(=C1C)Br)O

IUPAC Name

4-bromo-2,3-dimethylphenol

InChIKey

MOKFDXJOXUHQNO-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC1=C(C=CC(=C1C)Br)O

Molekulargewicht

201.06

Reaxy-Rn

2554498

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2554498&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: o-Xylenes P-bromophenols Meta cresols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Xylene - 4-bromophenol - O-cresol - M-cresol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 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 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 201.060 g/mol
• XLogP3: 2.300
• 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