2,5-Dichlorophenyl Isocyanate - ≥97%(GC) , CAS No.5392-82-5

CAS: 5392-82-5 Cat. No.: D155975 Summenformel: C₇H₃Cl₂NO Molekulargewicht: 188.01 Beilstein Registry Number: 12(3)1400 EG-Nummer: 226-396-7

QUALITÄT & REINHEIT ≥97%(GC)

Synonyms

Benzene, 1,4-dichloro-2-isocyanato- | NSC 6302 | FT-0635623 | InChI=1/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3 | Isocyanic acid,5-dichlorophenyl ester | NSC6302 | NSC-6302 | SCHEMBL785906 | Benzene,4-dichloro-2-isocyanato- | (S)-(-)-2-OXO-1,5-IMIDAZOLIDI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

Benzene, 1,4-dichloro-2-isocyanato- | NSC 6302 | FT-0635623 | InChI=1/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3 | Isocyanic acid,5-dichlorophenyl ester | NSC6302 | NSC-6302 | SCHEMBL785906 | Benzene,4-dichloro-2-isocyanato- | (S)-(-)-2-OXO-1,5-IMIDAZOLIDI

Spezifikationen & Reinheit

≥97%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%(GC)

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C=C1Cl)N=C=O)Cl

IUPAC Name

1,4-dichloro-2-isocyanatobenzene

InChIKey

PEQMJVGRHNZPAM-UHFFFAOYSA-N

INCHI

1S/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

Isomere SMILES

C1=CC(=C(C=C1Cl)N=C=O)Cl

Molekulargewicht

188.01

Beilstein

12(3)1400

Reaxy-Rn

388960

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388960&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 Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - Aryl chloride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture Sensitive,Heat Sensitive
• Siedepunkt (°C): 126 °C
• Schmelzpunkt (°C): 24 °C
• Molekulargewicht: 188.010 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.959 Da
• Monoisotopic Mass: 186.959 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• 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

Häufig gestellte Fragen

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 5392-82-5, the molecular formula is C7H3Cl2NO, and the molecular weight is 188.01 g/mol. InChIKey PEQMJVGRHNZPAM-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.