3,5-Dimethoxybenzyl Bromide - ≥96% , CAS No.877-88-3

CAS: 877-88-3 Cat. No.: D121638 Formula: C₉H₁₁BrO₂ Peso molecolare: 231.09 Numero EC: 618-071-7

GRADE & PURITY ≥96%

Synonyms

A24714 | 3, 5-Dimethoxy benzylbromide | CK2005 | alpha-Bromo-3,5-dimethoxytoluene | 1-(bromomethyl)-3,5-dimethoxybenzene | AM20041292 | MFCD01321368 | FT-0601159 | AKOS005259945 | 3,5-dimethoxy benzyl bromide | BTHIGJGJAPYFSJ-UHFFFAOYSA-N

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

3,5-Dimethoxybenzyl bromide is an aromatic bromide.

3,5-Dimethoxybenzyl bromide may be used in the synthesis of:

· 3,4,3′,5′-tetramethoxystilbene

· 3,5-dimethoxyphenylacetic acid

· 1-(3,5-dimethoxyphenyl)-4-pentene

It may be used as starting material in the multi-step synthesis of resveratrol and 3,5-dimethoxyhomophthalic acid.

Specifications

Sinonimi

A24714 | 3, 5-Dimethoxy benzylbromide | CK2005 | alpha-Bromo-3,5-dimethoxytoluene | 1-(bromomethyl)-3,5-dimethoxybenzene | AM20041292 | MFCD01321368 | FT-0601159 | AKOS005259945 | 3,5-dimethoxy benzyl bromide | BTHIGJGJAPYFSJ-UHFFFAOYSA-N

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

508808689

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808689

Sorrisi canonici

COC1=CC(=CC(=C1)CBr)OC

IUPAC Name

1-(bromomethyl)-3,5-dimethoxybenzene

InChIKey

BTHIGJGJAPYFSJ-UHFFFAOYSA-N

INCHI

1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3

Isomeri SMILES

COC1=CC(=CC(=C1)CBr)OC

WGK Germania

3

Peso molecolare

231.09

Reaxy-Rn

2440576

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2440576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzyl bromides Anisoles Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzyl halide - Benzyl bromide - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Solubilità: Solubility in Methanol almost transparency
• Sensibilità: Heat sensitive
• Punto di fusione (°C): 73°C
• Peso molecolare: 231.090 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 229.994 Da
• Monoisotopic Mass: 229.994 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 118.000
• 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