3-Bromo-4-nitrophenol - ≥97% , CAS No.5470-65-5

CAS: 5470-65-5 Cat. No.: B193871 Peso molecular: 218.01 Número EC: 965-190-8

GRADE & PURITY ≥97%

Synonyms

DTXSID70203167 | SZYVPWPBRABKAB-UHFFFAOYSA-N | DS-16760 | EN300-1695553 | 3- bromo-4-Nitrophenol | FT-0663813 | SY021067 | AKOS015834612 | AMY28376 | NSC27960 | NSC-27960 | UNII-K3X638NTR8 | Phenol, 3-bromo-4-nitro- (8CI)(9CI) | AC-29339 | MB08147 | K3X63

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID70203167 | SZYVPWPBRABKAB-UHFFFAOYSA-N | DS-16760 | EN300-1695553 | 3- bromo-4-Nitrophenol | FT-0663813 | SY021067 | AKOS015834612 | AMY28376 | NSC27960 | NSC-27960 | UNII-K3X638NTR8 | Phenol, 3-bromo-4-nitro- (8CI)(9CI) | AC-29339 | MB08147 | K3X63

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488182717
• Sonrisas canónicas: C1=CC(=C(C=C1O)Br)[N+](=O)[O-]
• IUPAC Name: 3-bromo-4-nitrophenol
• InChIKey: SZYVPWPBRABKAB-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C=C1O)Br)[N+](=O)[O-]
• Peso molecular: 218.01
• Reaxy-Rn: 2521698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2521698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds M-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

• Peso molecular: 218.000 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.937 Da
• Monoisotopic Mass: 216.937 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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