Benzoxazole - ≥98%(GC) , CAS No.273-53-0

CAS: 273-53-0 Cat. No.: B152628 Fórmula: C₇H₅NO Peso molecular: 119.12 Beilstein Registry Number: 27,42 Número EC: 205-988-9

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-20396 | Q761111 | 1,3-Benzoxazole | CHEBI:38814 | InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5 | 1,3-Benzoxazole # | SCHEMBL7903 | AI3-05743 | B0095 | A819031 | NSC3982 | NSC-3982 | 1-Oxa-3-aza-1H-indene | BENZOXAZOLE | H10149 | A3423 | NSC 3982 | FT-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

EN300-20396 | Q761111 | 1,3-Benzoxazole | CHEBI:38814 | InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5 | 1,3-Benzoxazole # | SCHEMBL7903 | AI3-05743 | B0095 | A819031 | NSC3982 | NSC-3982 | 1-Oxa-3-aza-1H-indene | BENZOXAZOLE | H10149 | A3423 | NSC 3982 | FT-

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

504751803

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751803

Sonrisas canónicas

C1=CC=C2C(=C1)N=CO2

IUPAC Name

1,3-benzoxazole

InChIKey

BCMCBBGGLRIHSE-UHFFFAOYSA-N

INCHI

1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Isómeros SMILES

C1=CC=C2C(=C1)N=CO2

WGK Alemania

3

RTECS

DM4375000

Peso molecular

119.12

Beilstein

27,42

Reaxy-Rn

109467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109467&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 Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - Benzenoid - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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: 1,3-benzoxazoles - mancude organic heterobicyclic parent

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

Objetivos asociados (humanos)

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 136.4 °F
• Punto de inflamación (°C): 58 °C
• Punto de ebullición (°C): 183 °C
• Punto de fusión (°C): 27 °C
• Peso molecular: 119.120 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.037 Da
• Monoisotopic Mass: 119.037 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 273-53-0, the molecular formula is C7H5NO, and the molecular weight is 119.12 g/mol. InChIKey BCMCBBGGLRIHSE-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.