4-cloro-3-nitrofenol - ≥98%(GC)(T) , CAS No.610-78-6

CAS: 610-78-6 Cat. No.: C153517 Fórmula: C₆H₄ClNO₃ Peso molecular: 173.55 Beilstein Registry Number: 2094550 Número EC: 612-076-8

CALIDAD & PUREZA ≥98%(GC)(T)

Synonyms

4-chloranyl-3-nitro-phenol | EN300-175002 | 2-chloro-5-hydroxy nitrobenzene | 4-Chlor-3-nitro-phenol | 3-nitro-4-chloro phenol | 4-Chloro-3-nitrophenol, 98% | AC-26255 | FT-0618095 | A833034 | InChI=1/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9 | STR05013

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

4-chloranyl-3-nitro-phenol | EN300-175002 | 2-chloro-5-hydroxy nitrobenzene | 4-Chlor-3-nitro-phenol | 3-nitro-4-chloro phenol | 4-Chloro-3-nitrophenol, 98% | AC-26255 | FT-0618095 | A833034 | InChI=1/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9 | STR05013

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)(T)

Nombres e identificadores

Pubchem Sid

488184226

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184226

Sonrisas canónicas

C1=CC(=C(C=C1O)[N+](=O)[O-])Cl

IUPAC Name

4-chloro-3-nitrophenol

InChIKey

JUIKCULGDIZNDI-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H

Isómeros SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])Cl

WGK Alemania

3

Peso molecular

173.55

Beilstein

2094550

Reaxy-Rn

2094546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094546&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 P-chlorophenols Nitroaromatic compounds Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 4-halophenol - 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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

• Punto de fusión (°C): 127 °C
• Peso molecular: 173.550 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 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