3,5-Dichloronitrobenzene - ≥98%(GC) , CAS No.618-62-2

CAS: 618-62-2 Cat. No.: D134087 Formule: C₆H₃Cl₂NO₂ Poids moléculaire: 192 Beilstein Registry Number: 2208880 Numéro CE: 210-557-3

GRADE & PURITY ≥98%(GC)

Synonyms

EC 210-557-3 | A8566 | DTXSID1060683 | InChI=1/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3 | EINECS 210-557-3 | NSC 53841 | 3,5-dichloro nitrobenzene | SCHEMBL204235 | 3,5-Dichloronitrobenzene | 3,5-dichloro-nitro-benzene | W-109092 | meta-Dichloronitroben

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

EC 210-557-3 | A8566 | DTXSID1060683 | InChI=1/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3 | EINECS 210-557-3 | NSC 53841 | 3,5-dichloro nitrobenzene | SCHEMBL204235 | 3,5-Dichloronitrobenzene | 3,5-dichloro-nitro-benzene | W-109092 | meta-Dichloronitroben

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488181525

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181525

Sourires canoniques

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

IUPAC Name

1,3-dichloro-5-nitrobenzene

InChIKey

RNABGKOKSBUFHW-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

192

Beilstein

2208880

Reaxy-Rn

2208877

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208877&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 - 1,3-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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Point de fusion (°C): 62 °C
• Poids moléculaire: 192.000 g/mol
• XLogP3: 3.100
• 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: 149.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 618-62-2, the molecular formula is C6H3Cl2NO2, and the molecular weight is 192 g/mol. InChIKey RNABGKOKSBUFHW-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.