2,5-Dichloronitrobenzene - ≥99% , CAS No.89-61-2

CAS: 89-61-2 Cat. No.: D109470 Peso molecular: 192 Beilstein Registry Number: 778109 Número EC: 201-923-3

GRADE & PURITY ≥99%

Synonyms

Benzene,4-dichloro-2-nitro- | DTXSID7052602 | NSC 406125 | Nitro-p-dichlorobenzene | 1,4-DICHLORO-2-NITROBENZENE [HSDB] | 2,5-Dichlornitrobenzen | 2,5-Dichlornitrobenzen [Czech] | 1,4-dichloronitrobenzene | HSDB 8024 | NSC406125 | NSC-406125 | 1,4-Dichlor

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

Benzene, 4-dichloro-2-nitro- | DTXSID7052602 | NSC 406125 | Nitro-p-dichlorobenzene | 1, 4-DICHLORO-2-NITROBENZENE [HSDB] | 2, 5-Dichlornitrobenzen | 2, 5-Dichlornitrobenzen [Czech] | 1, 4-dichloronitrobenzene | HSDB 8024 | NSC406125 | NSC-406125 | 1, 4-Dichlor

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180229
• Sonrisas canónicas: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
• IUPAC Name: 1,4-dichloro-2-nitrobenzene
• InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
• WGK Alemania: 3
• RTECS: CZ5260000
• Número ONU: 2811
• Peso molecular: 192
• Beilstein: 778109
• Reaxy-Rn: 778109
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=778109&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Dichlorobenzenes 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 - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-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 - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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: 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 acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water, ethanol, ether, benzene, carbon disulfide. Slightly soluble in carbon tetrachloride.
• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 275 °F
• Punto de inflamación (°C): 125℃
• Punto de ebullición (°C): 267°C
• Punto de fusión (°C): 56°C
• Peso molecular: 192.000 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• 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

Referencias

1. Linlin Chen, Junjie Shao, Hui Chen, Caiqin Wang, Xinyi Gao, Xiangyang Xu, Liang Zhu.  (2018)  Cathode potential regulation in a coupled bioelectrode-anaerobic sludge system for effective dechlorination of 2,4-dichloronitrobenzene.  BIORESOURCE TECHNOLOGY,      [PMID:29413921] [10.1016/j.biortech.2018.01.092]