2-Chlorobenzoxazole - ≥98%(GC) , CAS No.615-18-9

CAS: 615-18-9 Cat. No.: C153565 Peso molecular: 153.57 Beilstein Registry Number: 115982 Número EC: 210-414-5

GRADE & PURITY ≥98%(GC)

Synonyms

2-Chloro-1,3-benzoxazole # | BRN 0115982 | 2-chloro benzoxazole | J-650293 | W-105144 | (z)-3-trimethylsiloxy-2-pentene | A15696 | STR05753 | Z235343929 | 2-chlorobenzoxazol | FS-3177 | BCP27388 | AKOS000117946 | 2-Chloro-1,3-benzoxazole | HY-W019606 | In

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2-Chlorobenzoxazole was used in the synthesis of 2-(2-naphthylamino)benzoxazole via reaction with 2-amino-1-naphthalenesulfonic acid.

Specifications

Sinónimos

2-Chloro-1, 3-benzoxazole # | BRN 0115982 | 2-chloro benzoxazole | J-650293 | W-105144 | (z)-3-trimethylsiloxy-2-pentene | A15696 | STR05753 | Z235343929 | 2-chlorobenzoxazol | FS-3177 | BCP27388 | AKOS000117946 | 2-Chloro-1, 3-benzoxazole | HY-W019606 | In

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181501
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C(O2)Cl
• IUPAC Name: 2-chloro-1,3-benzoxazole
• InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
• Isómeros SMILES: C1=CC=C2C(=C1)N=C(O2)Cl
• WGK Alemania: 3
• RTECS: DM4680000
• Peso molecular: 153.57
• Beilstein: 115982
• Reaxy-Rn: 115982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazoles
• Alternative Parents: Benzenoids Aryl chlorides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.57
• Punto de inflamación (°F): 185 °F
• Punto de inflamación (°C): 85 °C
• Punto de ebullición (°C): 202 °C
• Punto de fusión (°C): 7°C(lit.)
• Peso molecular: 153.560 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.998 Da
• Monoisotopic Mass: 152.998 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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

Referencias

1. Wenhui Wang, Kaijin Chen, Huiyan Wu, Yubo Long, Juan Zhao, Long Jiang, Siwei Liu, Zhenguo Chi, Jiarui Xu, Yi Zhang.  (2023)  Benzoxazole-Based Hybridized Local and Charge-Transfer Deep-Blue Emitters for Solution-Processable Organic Light-Emitting Diodes and the In fluences of Hexahydrophthalimido.  ACS Applied Materials & Interfaces,      [PMID:36867671] [10.1021/acsami.2c23254]