2-(Bromomethyl)-5-nitrofuran - ≥96% , CAS No.20782-91-6

CAS: 20782-91-6 Cat. No.: B468936 Molecular Weight: 205.99 EC Number: 627-643-5

GRADE & PURITY ≥96%

Synonyms

J-640039 | Furan, 2-(bromomethyl)-5-nitro- | 5-NITRO-2-FURFURYL BROMIDE | MFCD00274235 | EN300-1915312 | AKOS015912608 | FT-0620694 | 2-Bromomethyl-5-nitro-furan | AS-60475 | 2-(Bromomethyl)-5-nitrofuran | 2-(Bromomethyl)-5-nitrofuran, 97% | CPZOCLCUJQJRB

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

J-640039 | Furan, 2-(bromomethyl)-5-nitro- | 5-NITRO-2-FURFURYL BROMIDE | MFCD00274235 | EN300-1915312 | AKOS015912608 | FT-0620694 | 2-Bromomethyl-5-nitro-furan | AS-60475 | 2-(Bromomethyl)-5-nitrofuran | 2-(Bromomethyl)-5-nitrofuran, 97% | CPZOCLCUJQJRB

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488191238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191238
• Canonical Smiles: C1=C(OC(=C1)[N+](=O)[O-])CBr
• IUPAC Name: 2-(bromomethyl)-5-nitrofuran
• InChIKey: CPZOCLCUJQJRBN-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3H2
• Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])CBr
• WGK Germany: 3
• Molecular Weight: 205.99
• Reaxy-Rn: 510094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Nitrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Nitrofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrofurans
• Alternative Parents: Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-nitrofuran - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro 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

Chemical and Physical Properties

• Melt Point(°C): 45-47 °C (lit.)
• Molecular Weight: 205.990 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.937 Da
• Monoisotopic Mass: 204.937 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 135.000
• 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