4-Bromo-2,6-dimethylanisole - ≥98% , CAS No.14804-38-7

CAS: 14804-38-7 Cat. No.: B301091 Formula: C₉H₁₁BrO Peso molecolare: 215.09 Beilstein Registry Number: 6(4)3122 Numero EC: 626-644-8

QUALITÀ & PUREZZA ≥98%

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

Specifiche

Sinonimi

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 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504758275

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758275

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Indice di rifrazione: 1.545
• Punto di infiammabilità (°F): >230℉
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 117-120 °C/13 mmHg
• Peso molecolare: 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