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

CAS: 5392-82-5 Cat. No.: D155975 Formule: C₇H₃Cl₂NO Poids moléculaire: 188.01 Beilstein Registry Number: 12(3)1400 Numéro CE: 226-396-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(GC)

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive,Heat Sensitive
• Point d'ébullition (°C): 126 °C
• Point de fusion (°C): 24 °C
• Poids moléculaire: 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

Foire aux questions

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.