1,3-Dichlorobenzene - analytical standard , CAS No.541-73-1

CAS: 541-73-1 Cat. No.: D108538 Summenformel: C₆H₄Cl₂ Molekulargewicht: 147.00 Beilstein Registry Number: 956618 EG-Nummer: 208-792-1

GRADE & PURITY Analytical standard

Synonyms

1,3-DICHLOROBENZENE [HSDB] | AKOS009031576 | NCGC00091197-01 | 1,3-DICHLOROBENZENE | 1,3-dichloro-benzene | m-Phenylene dichloride | 1,3-Dichlorobenzene 10 microg/mL in Cyclohexane | C19397 | InChI=1/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4 | F0001-1423 | m-Phenyl

Storage

Room temperature

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Specifications

Synonyme

1,3-DICHLOROBENZENE [HSDB] | AKOS009031576 | NCGC00091197-01 | 1,3-DICHLOROBENZENE | 1,3-dichloro-benzene | m-Phenylene dichloride | 1,3-Dichlorobenzene 10 microg/mL in Cyclohexane | C19397 | InChI=1/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4 | F0001-1423 | m-Phenyl

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

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Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528776242
• Kanonisches Lächeln: C1=CC(=CC(=C1)Cl)Cl
• IUPAC Name: 1,3-dichlorobenzene
• InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
• Isomere SMILES: C1=CC(=CC(=C1)Cl)Cl
• WGK Deutschland: 2
• RTECS: CZ4499000
• UN-Nummer: 2810
• Verpackungsgruppe: I
• Molekulargewicht: 147.00
• Beilstein: 956618
• Reaxy-Rn: 956618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: a chloroaromatic 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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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, soluble in alcohol and ether.
• Brechungsindex: 1.5459
• Flammpunkt (°C): 63℃
• Siedepunkt (°C): 173°C
• Schmelzpunkt (°C): －25-－22 °C
• Molekulargewicht: 147.000 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.969 Da
• Monoisotopic Mass: 145.969 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• 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