2，4-Dichlorophenethyl isocyanate - ≥95% , CAS No.480439-41-6

CAS: 480439-41-6 Cat. No.: D300289 Fórmula: C₉H₇Cl₂NO Peso molecular: 216.06 Número EC: 623-577-6

GRADE & PURITY ≥95%

Synonyms

2,4-Dichlorophenethyl isocyanate|480439-41-6|2,4-dichloro-1-(2-isocyanatoethyl)benzene|2,4-Dichlorophenethyl isocyanate, 97%|SCHEMBL1847891|DTXSID00407792|AKOS010078907|EN300-272511

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,4-Dichlorophenethyl isocyanate | 480439-41-6 | 2,4-dichloro-1-(2-isocyanatoethyl)benzene | 2,4-Dichlorophenethyl isocyanate, 97% | SCHEMBL1847891 | DTXSID00407792 | AKOS010078907 | EN300-272511

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1Cl)Cl)CCN=C=O
• IUPAC Name: 2,4-dichloro-1-(2-isocyanatoethyl)benzene
• InChIKey: GDBPHFFZTSTTKK-UHFFFAOYSA-N
• INCHI: 1S/C9H7Cl2NO/c10-8-2-1-7(9(11)5-8)3-4-12-6-13/h1-2,5H,3-4H2
• Isómeros SMILES: C1=CC(=C(C=C1Cl)Cl)CCN=C=O
• WGK Alemania: 3
• Peso molecular: 216.06
• Reaxy-Rn: 20876332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20876332&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 216.060 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.99 Da
• Monoisotopic Mass: 214.99 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 204.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% 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 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 480439-41-6, the molecular formula is C9H7Cl2NO, and the molecular weight is 216.06 g/mol. InChIKey GDBPHFFZTSTTKK-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.