6-Chloro-2-Methylbenzoxazole - ≥97% , CAS No.63816-18-2

CAS: 63816-18-2 Cat. No.: C194345 Fórmula: C₈H₆ClNO Peso molecular: 167.594

GRADE & PURITY ≥97%

Synonyms

W17337 | SCHEMBL2056293 | 6-chloro-2-methyl-1,3-benzoxazole | DS-18111 | 6-chloro-2-methylbenzoxazoline | DTXSID7070008 | AKOS004122391 | AB49156 | LAZJZCLGDISMLM-UHFFFAOYSA-N | SY018758 | A834535 | Benzoxazole, 6-chloro-2-methyl- | MFCD09027438 | FT-0657

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

W17337 | SCHEMBL2056293 | 6-chloro-2-methyl-1,3-benzoxazole | DS-18111 | 6-chloro-2-methylbenzoxazoline | DTXSID7070008 | AKOS004122391 | AB49156 | LAZJZCLGDISMLM-UHFFFAOYSA-N | SY018758 | A834535 | Benzoxazole, 6-chloro-2-methyl- | MFCD09027438 | FT-0657

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488187502

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187502

Sorrisos canónicos

CC1=NC2=C(O1)C=C(C=C2)Cl

IUPAC Name

6-chloro-2-methyl-1,3-benzoxazole

InChIKey

LAZJZCLGDISMLM-UHFFFAOYSA-N

INCHI

1S/C8H6ClNO/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3

SMILES isoméricas

CC1=NC2=C(O1)C=C(C=C2)Cl

Peso molecular

167.594

Reaxy-Rn

6135926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6135926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 167.590 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.014 Da
• Monoisotopic Mass: 167.014 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 63816-18-2, the molecular formula is C8H6ClNO, and the molecular weight is 167.594 g/mol. InChIKey LAZJZCLGDISMLM-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.