4-Bromo-2,6-dimethylanisole - ≥99% , CAS No.14804-38-7

CAS: 14804-38-7 Cat. No.: B132640 Summenformel: C₉H₁₁BrO Molekulargewicht: 215.09 Beilstein Registry Number: 6(4)3122 EG-Nummer: 626-644-8

GRADE & PURITY ≥99%

Synonyms

A808728 | Benzene, 5-bromo-2-methoxy-1,3-dimethyl- | 1-bromo-3,5-dimethyl-4-methoxybenzene | B3016 | FT-0617744 | 5-Bromo-2-methoxy-m-xylene | BP-20267 | 4-bro-mo-2,6-dimethyl anisole | SCHEMBL363341 | Z104494704 | 5-Bromo-2-methoxy-1,3-dimethylbenzene |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

A808728 | Benzene, 5-bromo-2-methoxy-1,3-dimethyl- | 1-bromo-3,5-dimethyl-4-methoxybenzene | B3016 | FT-0617744 | 5-Bromo-2-methoxy-m-xylene | BP-20267 | 4-bro-mo-2,6-dimethyl anisole | SCHEMBL363341 | Z104494704 | 5-Bromo-2-methoxy-1,3-dimethylbenzene |

Spezifikationen & Reinheit

≥99%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488189215

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189215

Kanonisches Lächeln

CC1=CC(=CC(=C1OC)C)Br

IUPAC Name

5-bromo-2-methoxy-1,3-dimethylbenzene

InChIKey

MMARFGDTMJBIBK-UHFFFAOYSA-N

INCHI

1S/C9H11BrO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3

Isomere SMILES

CC1=CC(=CC(=C1OC)C)Br

WGK Deutschland

3

Molekulargewicht

215.09

Beilstein

6(4)3122

Reaxy-Rn

1940290

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940290&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: m-Xylenes Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - M-xylene - Xylene - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - 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 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: Air sensitive
• Brechungsindex: 1.545
• Flammpunkt (°F): >230℉
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 117-120 °C/13 mmHg
• Molekulargewicht: 215.090 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.999 Da
• Monoisotopic Mass: 213.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 14804-38-7, the molecular formula is C9H11BrO, and the molecular weight is 215.09 g/mol. InChIKey MMARFGDTMJBIBK-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.