2-Chloro-4-nitrophenol - ≥97% , CAS No.619-08-9

CAS: 619-08-9 Cat. No.: C104236 Fórmula: C₆H₄NO₃Cl Peso molecular: 173.55 Beilstein Registry Number: 6240 Número CE: 210-578-8

GRAU & PUREZA ≥97%

Synonyms

BRN 2046372 | Nitrofurgin | AC-10766 | AM20040873 | SY006700 | EN300-18946 | AKOS000119853 | UNII-Y2V03M9UL8 | 2-chloro-4nitrophenol | 2-CHLORO-4-NITROPHENOL | 2-chloro4-nitro-phenol | AH-034/32465052 | Y2V03M9UL8 | DTXSID0060694 | Phenol, chloro-4-nitro-

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

BRN 2046372 | Nitrofurgin | AC-10766 | AM20040873 | SY006700 | EN300-18946 | AKOS000119853 | UNII-Y2V03M9UL8 | 2-chloro-4nitrophenol | 2-CHLORO-4-NITROPHENOL | 2-chloro4-nitro-phenol | AH-034/32465052 | Y2V03M9UL8 | DTXSID0060694 | Phenol, chloro-4-nitro-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504752257

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752257

Sorrisos canónicos

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

IUPAC Name

2-chloro-4-nitrophenol

InChIKey

BOFRXDMCQRTGII-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

WGK Alemanha

3

RTECS

SK5075000

Número UN

2811

Peso molecular

173.55

Beilstein

6240

Reaxy-Rn

2046372

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046372&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 O-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 - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - 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 - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly Soluble in water.
• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°C): 106-112°C
• Peso molecular: 173.550 g/mol
• XLogP3: 2.300
• 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