2-Bromo-4-methylphenol - ≥96% , CAS No.6627-55-0

CAS: 6627-55-0 Cat. No.: B141113 Summenformel: C₇H₇BrO Molekulargewicht: 187.04 Beilstein Registry Number: 6405 EG-Nummer: 229-595-7

GRADE & PURITY ≥96%

Synonyms

DTXSID8074574 | p-Cresol, 2-bromo- (6CI,7CI,8CI); 2-Bromo-4-methylphenol; 2-Bromo-4-cresol; 2-Bromo-p-cresol; 3-Bromo-4-hydroxytoluene; NSC 60115 | p-CRESOL, 2-BROMO- | BB 0262339 | EINECS 229-595-7 | NSC 60115 | 2-Bromo-4-methylphenol, 96% | BRN 1859036

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

DTXSID8074574 | p-Cresol, 2-bromo- (6CI,7CI,8CI); 2-Bromo-4-methylphenol; 2-Bromo-4-cresol; 2-Bromo-p-cresol; 3-Bromo-4-hydroxytoluene; NSC 60115 | p-CRESOL, 2-BROMO- | BB 0262339 | EINECS 229-595-7 | NSC 60115 | 2-Bromo-4-methylphenol, 96% | BRN 1859036

Spezifikationen & Reinheit

≥96%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504753109
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753109
• Kanonisches Lächeln: CC1=CC(=C(C=C1)O)Br
• IUPAC Name: 2-bromo-4-methylphenol
• InChIKey: MTIDYGLTAOZOGU-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
• Isomere SMILES: CC1=CC(=C(C=C1)O)Br
• WGK Deutschland: 3
• RTECS: GO6868200
• Molekulargewicht: 187.04
• Beilstein: 6405
• Reaxy-Rn: 1859036
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859036&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: Para cresols
• Alternative Parents: O-bromophenols Toluenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halophenol - 2-bromophenol - P-cresol - Bromobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
• 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: air sensitive
• Brechungsindex: 1.578
• Flammpunkt (°F): >110°C(230°F)
• Flammpunkt (°C): >110°C(230°F)
• Siedepunkt (°C): 213-214°C
• Schmelzpunkt (°C): 16°C
• Molekulargewicht: 187.030 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.968 Da
• Monoisotopic Mass: 185.968 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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

Häufig gestellte Fragen

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6627-55-0, the molecular formula is C7H7BrO, and the molecular weight is 187.04 g/mol. InChIKey MTIDYGLTAOZOGU-UHFFFAOYSA-N.