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

CAS: 121-73-3 Cat. No.: C100477 Formula: C₆H₄ClNO₂ Peso molecolare: 157.55 Beilstein Registry Number: 1907947 Numero EC: 204-496-1

QUALITÀ & PUREZZA 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

Specifiche

Sinonimi

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

Specifiche e purezza

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

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

per l'analisi ambientale, Standard analitico

Purezza

≥99.6%(GC)

Nomi e identificatori

Pubchem Sid

528776259

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

CZ0940000

Numero UN

1578

Gruppo di imballaggio

II

Peso molecolare

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
• Descrizione: 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

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Discover Target: AR

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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Obiettivi associati (non umani)

Salmonella typhimurium (15756 Activities)

Explore this target

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in hot ethanol, chloroform, ether, carbon disulfide and glacial acetic acid, slightly soluble in cold ethanol, insoluble in water
• Punto di infiammabilità (°F): 255.2 °F
• Punto di infiammabilità (°C): 124 °C
• Punto di ebollizione (°C): 236°C
• Punto di fusione (°C): 46°C
• Peso molecolare: 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