m-nitrochlorobenzene - analytical standard, for environmental analysis, ≥99.6%(GC) , CAS No.121-73-3

CAS: 121-73-3 Cat. No.: C100477 Fórmula: C₆H₄ClNO₂ Peso molecular: 157.55 Beilstein Registry Number: 1907947 Número CE: 204-496-1

GRAU & PUREZA Analytical standard, for Environmental analysis, ≥99.6%(GC)

Synonyms

1-Chloro-3-nitrobenzene|121-73-3|m-Chloronitrobenzene|3-Nitrochlorobenzene|m-Nitrochlorobenzene|3-Chloronitrobenzene|BENZENE, 1-CHLORO-3-NITRO-|Chloro-m-nitrobenzene|3-Chloro-1-nitrobenzene|Metachloronitrobenzene|1-Chloro-3-nitro-benzene|NSC 5502|8XSA3GF8

Storage

Room temperature

Shipped In

FedEx DG Service

Especificações

Sinónimos

1-Chloro-3-nitrobenzene | 121-73-3 | m-Chloronitrobenzene | 3-Nitrochlorobenzene | m-Nitrochlorobenzene | 3-Chloronitrobenzene | BENZENE, 1-CHLORO-3-NITRO- | Chloro-m-nitrobenzene | 3-Chloro-1-nitrobenzene | Metachloronitrobenzene | 1-Chloro-3-nitro-benzene | NSC 5502 | 8XSA3GF8

Especificações e pureza

analytical standard, for environmental analysis, ≥99.6%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Padrão analítico, para análise ambiental

Pureza

≥99.6%(GC)

Nomes e identificadores

Pubchem Sid

528776259

Sorrisos canónicos

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

IUPAC Name

1-chloro-3-nitrobenzene

InChIKey

KMAQZIILEGKYQZ-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

SMILES isoméricas

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

WGK Alemanha

3

RTECS

CZ0940000

Número UN

1578

Grupo de embalagem

II

Peso molecular

157.55

Beilstein

1907947

Reaxy-Rn

1907947

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907947&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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: C-nitro compound

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

Alvos associados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in hot ethanol, chloroform, ether, carbon disulfide and glacial acetic acid, slightly soluble in cold ethanol, insoluble in water
• Ponto de inflamação (°F): 255.2 °F
• Ponto de inflamação (°C): 124 °C
• Ponto de ebulição (°C): 236°C
• Ponto de fusão (°C): 46°C
• Peso molecular: 157.550 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• 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