2-Bromo-5-methylanisole - ≥98% , CAS No.95740-49-1

CAS: 95740-49-1 Cat. No.: B196086 Formule: C₈H₉BrO Poids moléculaire: 201.06 Numéro CE: 676-356-1

GRADE & PURITY ≥98%

Synonyms

EN300-132561 | 1-bromanyl-2-methoxy-4-methyl-benzene | 1-bromo-2-methoxy-4-methylbenzene | 1-bromo-2-methoxy-4-methyl-benzene | DTXSID70446815 | DS-16095 | FT-0687024 | A845451 | AM82949 | CL9188 | MFCD09029185 | OERVAQHUJAFULZ-UHFFFAOYSA-N | AKOS01596093

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

EN300-132561 | 1-bromanyl-2-methoxy-4-methyl-benzene | 1-bromo-2-methoxy-4-methylbenzene | 1-bromo-2-methoxy-4-methyl-benzene | DTXSID70446815 | DS-16095 | FT-0687024 | A845451 | AM82949 | CL9188 | MFCD09029185 | OERVAQHUJAFULZ-UHFFFAOYSA-N | AKOS01596093

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488196881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196881

Sourires canoniques

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

IUPAC Name

1-bromo-2-methoxy-4-methylbenzene

InChIKey

OERVAQHUJAFULZ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

Poids moléculaire

201.06

Reaxy-Rn

3237332

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237332&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: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 201.060 g/mol
• XLogP3: 3.100
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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 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 95740-49-1, the molecular formula is C8H9BrO, and the molecular weight is 201.06 g/mol. InChIKey OERVAQHUJAFULZ-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.