1-Bromo-2-methoxy-3-methylbenzene - ≥98% , CAS No.52200-69-8

CAS: 52200-69-8 Cat. No.: B184954 Summenformel: C₈H₉BrO Molekulargewicht: 201.06 EG-Nummer: 881-201-8

GRADE & PURITY ≥98%

Synonyms

F52555 | AKOS015908448 | SCHEMBL1364824 | 1-Bromo-3-methyl-2-(methyloxy)benzene | VUIUOSKXGNEORM-UHFFFAOYSA-N | AS-18004 | 3-Bromo-2-methoxytoluene | AM87028 | MFCD12547891 | CCA20069 | EN300-1914476 | DTXSID10482974 | A871042 | 1-Bromo-2-methoxy-3-methyl

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

F52555 | AKOS015908448 | SCHEMBL1364824 | 1-Bromo-3-methyl-2-(methyloxy)benzene | VUIUOSKXGNEORM-UHFFFAOYSA-N | AS-18004 | 3-Bromo-2-methoxytoluene | AM87028 | MFCD12547891 | CCA20069 | EN300-1914476 | DTXSID10482974 | A871042 | 1-Bromo-2-methoxy-3-methyl

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(=CC=C1)Br)OC

IUPAC Name

1-bromo-2-methoxy-3-methylbenzene

InChIKey

VUIUOSKXGNEORM-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC1=C(C(=CC=C1)Br)OC

Molekulargewicht

201.06

Reaxy-Rn

2435042

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2435042&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - 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 anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.984 Da
• Monoisotopic Mass: 199.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 52200-69-8, the molecular formula is C8H9BrO, and the molecular weight is 201.06 g/mol. InChIKey VUIUOSKXGNEORM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.