Bromoxynil methyl ether - ≥97% , CAS No.3336-39-8

CAS: 3336-39-8 Cat. No.: B355771 Peso molecular: 290.94

GRADE & PURITY ≥97%

Synonyms

Bromoxynil-methyl ether | FT-0614500 | BUGMOVRSBPGSOS-UHFFFAOYSA-N | HMS565O20 | J-019160 | Bromoxynil methyl ether | MFCD00017333 | SR-01000640124-1 | BROMOXYNIL-METHYLETHER | SCHEMBL7627302 | AKOS002391621 | 3,5-dibromo-4-methoxybenzonitrile | 3,5-Dibro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Bromoxynil-methyl ether | FT-0614500 | BUGMOVRSBPGSOS-UHFFFAOYSA-N | HMS565O20 | J-019160 | Bromoxynil methyl ether | MFCD00017333 | SR-01000640124-1 | BROMOXYNIL-METHYLETHER | SCHEMBL7627302 | AKOS002391621 | 3, 5-dibromo-4-methoxybenzonitrile | 3, 5-Dibro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761403
• Sonrisas canónicas: COC1=C(C=C(C=C1Br)C#N)Br
• IUPAC Name: 3,5-dibromo-4-methoxybenzonitrile
• InChIKey: BUGMOVRSBPGSOS-UHFFFAOYSA-N
• INCHI: 1S/C8H5Br2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1Br)C#N)Br
• Peso molecular: 290.94
• Reaxy-Rn: 2578051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2578051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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 fusión (°C): 189 - 191 °C
• Peso molecular: 290.940 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 290.872 Da
• Monoisotopic Mass: 288.874 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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