5-(2-Chloro-5-nitrophenyl)-2-furoyl chloride - ≥95% , CAS No.380871-34-1

CAS: 380871-34-1 Cat. No.: C300201 Molecular Weight: 286.07 EC Number: 679-340-2

GRADE & PURITY ≥95%

Synonyms

380871-34-1|5-(2-chloro-5-nitrophenyl)furan-2-carbonyl chloride|5-(2-Chloro-5-Nitro-Phenyl)-Furan-2-Carbonyl Chloride|5-(2-CHLORO-5-NITROPHENYL)-2-FUROYL CHLORIDE|DTXSID60403659|AKOS000289086|BB 0245573|5-(2-chloro-5-nitrophenyl)furan-2-carbonylchloride|5

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

380871-34-1 | 5-(2-chloro-5-nitrophenyl)furan-2-carbonyl chloride | 5-(2-Chloro-5-Nitro-Phenyl)-Furan-2-Carbonyl Chloride | 5-(2-CHLORO-5-NITROPHENYL)-2-FUROYL CHLORIDE | DTXSID60403659 | AKOS000289086 | BB 0245573 | 5-(2-chloro-5-nitrophenyl)furan-2-carbonylchloride | 5

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C(=O)Cl)Cl
• IUPAC Name: 5-(2-chloro-5-nitrophenyl)furan-2-carbonyl chloride
• InChIKey: UEBNEDSLYXBEMR-UHFFFAOYSA-N
• INCHI: 1S/C11H5Cl2NO4/c12-8-2-1-6(14(16)17)5-7(8)9-3-4-10(18-9)11(13)15/h1-5H
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C(=O)Cl)Cl
• Molecular Weight: 286.07
• Reaxy-Rn: 22643124
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22643124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Furoic acid and derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acyl chlorides Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organooxygen compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Furoic acid or derivatives - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Acyl chloride - Acyl halide - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing 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

• Sensitivity: Air sensitive
• Molecular Weight: 286.060 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 284.96 Da
• Monoisotopic Mass: 284.96 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 346.000
• 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