4-Bromo-2,3-dimethylanisole - ≥96% , CAS No.50638-48-7

CAS: 50638-48-7 Cat. No.: B121827 Formula: C₉H₁₁BrO Peso molecolare: 215.09 Numero EC: 626-478-6

GRADE & PURITY ≥96%

Synonyms

EN300-1664830 | FT-0682145 | DTXSID00372911 | Benzene, 1-bromo-4-methoxy-2,3-dimethyl- | AS-19872 | 1-bromo-4-methoxy-2,3-dimethylbenzene | AKOS004907338 | MFCD01652199 | 4-Bromo-2,3-dimethylanisole, 96% | A871490 | SCHEMBL1829968 | SY064484 | 4-Bromo-2,3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EN300-1664830 | FT-0682145 | DTXSID00372911 | Benzene, 1-bromo-4-methoxy-2,3-dimethyl- | AS-19872 | 1-bromo-4-methoxy-2,3-dimethylbenzene | AKOS004907338 | MFCD01652199 | 4-Bromo-2,3-dimethylanisole, 96% | A871490 | SCHEMBL1829968 | SY064484 | 4-Bromo-2,3

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

488192958

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192958

Sorrisi canonici

CC1=C(C=CC(=C1C)Br)OC

IUPAC Name

1-bromo-4-methoxy-2,3-dimethylbenzene

InChIKey

WOWNZZYJCUUIFC-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC1=C(C=CC(=C1C)Br)OC

WGK Germania

3

Peso molecolare

215.09

Reaxy-Rn

2518503

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2518503&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: o-Xylenes Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - O-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

• Rotazione specifica [α]: 1.566
• Punto di ebollizione (°C): 197°C
• 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: 127.000
• 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

Domande frequenti

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

The CAS Number is 50638-48-7, the molecular formula is C9H11BrO, and the molecular weight is 215.09 g/mol. InChIKey WOWNZZYJCUUIFC-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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.