1-Bromo-2-methoxymethylnaphthalene - ≥97% , CAS No.64689-70-9

CAS: 64689-70-9 Cat. No.: B405682 Peso molecular: 251.12

GRADE & PURITY ≥97%

Synonyms

A834850 | DTXSID30495723 | FT-0640963 | 1-Bromo-2-(methoxymethyl)naphthalene, AldrichCPR | 1-bromo-2-(methoxymethyl)naphthalene | 1-bromo-2-(methoxymethyl)-naphthalene | B1170 | SCHEMBL6961971 | 1-Bromo-2-methoxymethylnaphthalene | AC-27861 | SY052384 | 1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A834850 | DTXSID30495723 | FT-0640963 | 1-Bromo-2-(methoxymethyl)naphthalene, AldrichCPR | 1-bromo-2-(methoxymethyl)naphthalene | 1-bromo-2-(methoxymethyl)-naphthalene | B1170 | SCHEMBL6961971 | 1-Bromo-2-methoxymethylnaphthalene | AC-27861 | SY052384 | 1

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504767087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767087
• Sonrisas canónicas: COCC1=C(C2=CC=CC=C2C=C1)Br
• IUPAC Name: 1-bromo-2-(methoxymethyl)naphthalene
• InChIKey: ORYVAZPUJFACFR-UHFFFAOYSA-N
• INCHI: 1S/C12H11BrO/c1-14-8-10-7-6-9-4-2-3-5-11(9)12(10)13/h2-7H,8H2,1H3
• Isómeros SMILES: COCC1=C(C2=CC=CC=C2C=C1)Br
• Peso molecular: 251.12
• Reaxy-Rn: 2361976
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2361976&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl bromides Dialkyl ethers Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl halide - Aryl bromide - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°C): 128 °C
• Punto de ebullición (°C): 151 °C/1.7 mmHg
• Peso molecular: 251.120 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.999 Da
• Monoisotopic Mass: 249.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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