2-Bromo-5-nitrofuran - ≥98% , CAS No.823-73-4

CAS: 823-73-4 Cat. No.: B152384 Summenformel: C₄H₂BrNO₃ Molekulargewicht: 191.97 EG-Nummer: 677-993-8

QUALITÄT & REINHEIT ≥98%

Synonyms

B1470 | SCHEMBL3200677 | Furan, 2-bromo-5-nitro- | SB61090 | MFCD00142879 | EC-000.1575 | EN300-103019 | A922699 | FT-0632988 | DTXSID10283589 | AC1555 | 2-Bromo-5-nitrofuran | 2-Bromo-5-nitro-furan | QGTDMAKRJHGXOF-UHFFFAOYSA-N | SY047887 | NSC32225 | NS

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

B1470 | SCHEMBL3200677 | Furan, 2-bromo-5-nitro- | SB61090 | MFCD00142879 | EC-000.1575 | EN300-103019 | A922699 | FT-0632988 | DTXSID10283589 | AC1555 | 2-Bromo-5-nitrofuran | 2-Bromo-5-nitro-furan | QGTDMAKRJHGXOF-UHFFFAOYSA-N | SY047887 | NSC32225 | NS

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528757175

Kanonisches Lächeln

C1=C(OC(=C1)Br)[N+](=O)[O-]

IUPAC Name

2-bromo-5-nitrofuran

InChIKey

QGTDMAKRJHGXOF-UHFFFAOYSA-N

INCHI

1S/C4H2BrNO3/c5-3-1-2-4(9-3)6(7)8/h1-2H

Isomere SMILES

C1=C(OC(=C1)Br)[N+](=O)[O-]

Molekulargewicht

191.97

Reaxy-Rn

120954

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120954&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Furans
• Subclass: Nitrofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrofurans
• Alternative Parents: Nitroaromatic compounds Aryl bromides 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
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-nitrofuran - Aryl bromide - Aryl halide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive
• Siedepunkt (°C): 118°C/15mmHg(lit.)
• Schmelzpunkt (°C): 47 °C
• Molekulargewicht: 191.970 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 190.922 Da
• Monoisotopic Mass: 190.922 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 123.000
• 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