2-Chlorophenyl Isocyanate - ≥98% , CAS No.3320-83-0

CAS: 3320-83-0 Cat. No.: C107898 Fórmula: C₇H₄ClNO Peso molecular: 153.57 Número EC: 222-023-7

CALIDAD & PUREZA ≥98%

Synonyms

NSC8761 | NSC-8761 | o-Chlorophenyl isocyanate | F1945-0011 | Benzene, 1-chloro-2-isocyanato- | C13353 | PS-10307 | 2-chloro-1-isocyanatobenzene | 2-chloro-1-isocyanato-benzene | 2-Chlorophenyl isocyanate, 98% | EINECS 257-001-6 | Hexanedioic acid,2,2,3,3

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2-Chlorophenyl isocyanate has been used: . as standard to investigate the photocatalytic degradation of Monuron over TiO2 suspensions . in the preparation of 2-(2-chlorophenylamino)-3,5-dihydro-5,5-dimethyl-3-phenyl-6H-imidazo[1,2-b]-1,2,4-triazol-6-one . in synthesis of pentenylated β-cyclodextrin chlorophenyl carbamates

Especificaciones

Sinónimos

NSC8761 | NSC-8761 | o-Chlorophenyl isocyanate | F1945-0011 | Benzene, 1-chloro-2-isocyanato- | C13353 | PS-10307 | 2-chloro-1-isocyanatobenzene | 2-chloro-1-isocyanato-benzene | 2-Chlorophenyl isocyanate, 98% | EINECS 257-001-6 | Hexanedioic acid,2,2,3,3

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488185335

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185335

Sonrisas canónicas

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

IUPAC Name

1-chloro-2-isocyanatobenzene

InChIKey

NOHQUGRVHSJYMR-UHFFFAOYSA-N

INCHI

1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Isómeros SMILES

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

WGK Alemania

2

Peso molecular

153.57

Reaxy-Rn

386478

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386478&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• 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: Chlorobenzene - 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
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.5575
• Punto de inflamación (°F): 89 °C
• Punto de inflamación (°C): 89°C
• Punto de ebullición (°C): 83-84°C
• Peso molecular: 153.560 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.998 Da
• Monoisotopic Mass: 152.998 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 154.000
• 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