3-Methoxybenzyl bromide - ≥98% , CAS No.874-98-6

CAS: 874-98-6 Cat. No.: M299353 Fórmula: CH₃OC₆H₄CH₂Br Peso molecular: 201.06 Número CE: 629-399-5

GRADE & PURITY ≥98%

Synonyms

3-methoxy benzylbromide | A24610 | Benzene, 1-(bromomethyl)-3-methoxy- | 3-Methoxybenzylbromide | 3-methoxy-benzylbromide | 1-(bromomethyl)-3-(methyloxy)benzene | 3-Bromomethyl-3-methoxybenzene | 3-methoxy benzyl bromide | 3-methoxybenzylbromid | SCHEMBL1

Storage

Room temperature

Shipped In

Normal

Visão geral

3-Methoxybenzyl bromide is a benzyl bromide derivative.

Specifications

Sinónimos

3-methoxy benzylbromide | A24610 | Benzene, 1-(bromomethyl)-3-methoxy- | 3-Methoxybenzylbromide | 3-methoxy-benzylbromide | 1-(bromomethyl)-3-(methyloxy)benzene | 3-Bromomethyl-3-methoxybenzene | 3-methoxy benzyl bromide | 3-methoxybenzylbromid | SCHEMBL1

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504762825

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762825

Sorrisos canónicos

COC1=CC=CC(=C1)CBr

IUPAC Name

1-(bromomethyl)-3-methoxybenzene

InChIKey

ZKSOJQDNSNJIQW-UHFFFAOYSA-N

INCHI

1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

SMILES isoméricas

COC1=CC=CC(=C1)CBr

Número UN

3265

Grupo de embalagem

II

Peso molecular

201.06

Reaxy-Rn

636716

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636716&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Benzyl bromide - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.575
• Ponto de inflamação (°C): 113°C
• Ponto de ebulição (°C): 152°C
• Peso molecular: 201.060 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 95.300
• 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