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

CAS: 610-78-6 Cat. No.: C153517 Formula: C₆H₄ClNO₃ Peso molecolare: 173.55 Beilstein Registry Number: 2094550 Numero EC: 612-076-8

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%(GC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)(T)

Nomi e identificatori

Pubchem Sid

488184226

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 127 °C
• Peso molecolare: 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