1,2-Dichloro-4,5-dinitrobenzene - ≥98% , CAS No.6306-39-4

CAS: 6306-39-4 Cat. No.: D139115 Formula: Cl₂C₆H₂(NO₂)₂ Peso molecolare: 237

QUALITÀ & PUREZZA ≥98%

Synonyms

1,2-Dichloro-4,5-dinitrobenzene|6306-39-4|4,5-Dichloro-1,2-dinitrobenzene|Parazol|Benzene, 1,2-dichloro-4,5-dinitro-|1,2-DICHLORO-4,5-DINITRO-BENZENE|E5112AA0T0|NSC-22945|NSC 22945|BRN 2460868|UNII-E5112AA0T0|AI3-19504|4,2-dinitrobenzene|MFCD00010865|1,2d

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

1,2-Dichloro-4,5-dinitrobenzene | 6306-39-4 | 4,5-Dichloro-1,2-dinitrobenzene | Parazol | Benzene, 1,2-dichloro-4,5-dinitro- | 1,2-DICHLORO-4,5-DINITRO-BENZENE | E5112AA0T0 | NSC-22945 | NSC 22945 | BRN 2460868 | UNII-E5112AA0T0 | AI3-19504 | 4,2-dinitrobenzene | MFCD00010865 | 1,2d

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185882

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185882

Sorrisi canonici

C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

IUPAC Name

1,2-dichloro-4,5-dinitrobenzene

InChIKey

IGSAVPVCQHAPSM-UHFFFAOYSA-N

INCHI

1S/C6H2Cl2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H

Isomeri SMILES

C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

Peso molecolare

237

Reaxy-Rn

2460868

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2460868&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 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 - 1,2-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
• 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: 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 105-107 ºC
• Peso molecolare: 236.990 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 235.939 Da
• Monoisotopic Mass: 235.939 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 225.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6306-39-4, the molecular formula is Cl2C6H2(NO2)2, and the molecular weight is 237 g/mol. InChIKey IGSAVPVCQHAPSM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.