2,3-Dichloronitrobenzene - ≥98% , CAS No.3209-22-1

CAS: 3209-22-1 Cat. No.: D107537 Summenformel: C₆H₃Cl₂NO₂ Molekulargewicht: 192.00 Beilstein Registry Number: 2048029 EG-Nummer: 221-717-7

GRADE & PURITY ≥98%

Synonyms

DTXSID8024997 | E78836 | NCGC00091860-01 | Benzene, 1,2-dichloro-3-nitro- | NSC60641 | NSC-60641 | A821127 | CCRIS 5901 | EC 221-717-7 | MFCD00007062 | 1,2-Dichloro-3-nitrobenzene | 1,2-Dichloro-3-nitro-benzene | EN300-21775 | InChI=1/C6H3Cl2NO2/c7-4-2-1-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

DTXSID8024997 | E78836 | NCGC00091860-01 | Benzene, 1,2-dichloro-3-nitro- | NSC60641 | NSC-60641 | A821127 | CCRIS 5901 | EC 221-717-7 | MFCD00007062 | 1,2-Dichloro-3-nitrobenzene | 1,2-Dichloro-3-nitro-benzene | EN300-21775 | InChI=1/C6H3Cl2NO2/c7-4-2-1-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488182487
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182487
• Kanonisches Lächeln: C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]
• IUPAC Name: 1,2-dichloro-3-nitrobenzene
• InChIKey: CMVQZRLQEOAYSW-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
• Isomere SMILES: C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]
• WGK Deutschland: 3
• RTECS: CZ5240000
• UN-Nummer: 3077
• Verpackungsgruppe: III
• Molekulargewicht: 192.00
• Beilstein: 2048029
• Reaxy-Rn: 2048029
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048029&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Degree of Solubility in water: 62.4 mg/l 20 °C; Soluble in Acetone,Ether,Ethanol
• Flammpunkt (°C): 123°C
• Siedepunkt (°C): 257-258°C
• Schmelzpunkt (°C): 60-64°C
• Molekulargewicht: 192.000 g/mol
• XLogP3: 3.000
• 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

Referenzen

1. Lan Zhou, Lu Yangcheng.  (2021)  Continuous nitration of o-dichlorobenzene in micropacked-bed reactor: process design and modelling.  Journal of Flow Chemistry,  11  (2): (171-179).  [PMID:] [10.1007/s41981-020-00132-3]

Häufig gestellte Fragen

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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 3209-22-1, the molecular formula is C6H3Cl2NO2, and the molecular weight is 192.00 g/mol. InChIKey CMVQZRLQEOAYSW-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.