5-(3-Chlorophenyl)oxazole - ≥98% , CAS No.89808-76-4

CAS: 89808-76-4 Cat. No.: C294152 Summenformel: C₉H₆ClNO Molekulargewicht: 179.61

GRADE & PURITY ≥98%

Synonyms

Oxazole, 5-(3-chlorophenyl)- | SY012505 | MFCD00084974 | A843326 | Maybridge1_007374 | SCHEMBL18394452 | 5-(3-chlorophenyl)-1,3-oxazole | HMS562H04 | 5-(3-Chlorophenyl)oxazole | BAA00894 | PS-5931 | FT-0619622 | DTXSID00370952 | AKOS005254939 | 5-(3-Chlor

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

Oxazole, 5-(3-chlorophenyl)- | SY012505 | MFCD00084974 | A843326 | Maybridge1_007374 | SCHEMBL18394452 | 5-(3-chlorophenyl)-1,3-oxazole | HMS562H04 | 5-(3-Chlorophenyl)oxazole | BAA00894 | PS-5931 | FT-0619622 | DTXSID00370952 | AKOS005254939 | 5-(3-Chlor

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC(=C1)Cl)C2=CN=CO2

IUPAC Name

5-(3-chlorophenyl)-1,3-oxazole

InChIKey

NJVHPUNGYNOCQN-UHFFFAOYSA-N

INCHI

1S/C9H6ClNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H

Isomere SMILES

C1=CC(=CC(=C1)Cl)C2=CN=CO2

Molekulargewicht

179.61

Reaxy-Rn

8308882

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8308882&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Chlorobenzenes Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.559
• Flammpunkt (°C): 120ºC
• Siedepunkt (°C): 274.7ºC at 760 mmHg
• Schmelzpunkt (°C): 46-48ºC
• Molekulargewicht: 179.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.014 Da
• Monoisotopic Mass: 179.014 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• 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