4-Bromo-3,5-dimethylanisole - ≥98% , CAS No.6267-34-1

CAS: 6267-34-1 Cat. No.: B589704 Summenformel: C₉H₁₁BrO Molekulargewicht: 215.1 EG-Nummer: 613-069-2

GRADE & PURITY ≥98%

Synonyms

2-bromo-5-methoxy-1,3-dimethylbenzene | 2-bromo-5-methoxy-1,3-dimethyl-benzene | AKOS004907337 | FT-0656565 | MFCD00461692 | STL556307 | EN300-84346 | SY104046 | InChI=1/C9H11BrO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H | DS-1812 | NSC37991 | NSC-37991 | DTX

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

2-bromo-5-methoxy-1,3-dimethylbenzene | 2-bromo-5-methoxy-1,3-dimethyl-benzene | AKOS004907337 | FT-0656565 | MFCD00461692 | STL556307 | EN300-84346 | SY104046 | InChI=1/C9H11BrO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H | DS-1812 | NSC37991 | NSC-37991 | DTX

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528760613

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760613

Kanonisches Lächeln

CC1=CC(=CC(=C1Br)C)OC

IUPAC Name

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

InChIKey

RAWZVIWEDAGMPW-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC1=CC(=CC(=C1Br)C)OC

Molekulargewicht

215.1

Reaxy-Rn

2518476

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2518476&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

• 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