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2,4-Dimethyloxazole - ≥98.0%(GC), high purity , CAS No.7208-05-1
Basic Description
Synonyms
AKOS006280508 | CHEBI:195692 | Oxazole, 2,4-dimethyl- | 2,4-dimethyl oxazole | FT-0657045 | D3766 | MFCD00234124 | 2,4-Dimethyl-1,3-oxazole | InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H | A837415 | T71266 | FT-0654587 | G0W5QQT2LD | UNII-G0W5QQT2LD | EN300-1
Specifications & Purity
≥98%(GC)
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4-disubstituted oxazoles
Alternative Parents
Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
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.
Names and Identifiers
IUPAC Name
2,4-dimethyl-1,3-oxazole
INCHI
InChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
InChIKey
PSOZJOZKEVZLKZ-UHFFFAOYSA-N
Smiles
CC1=COC(=N1)C
Isomeric SMILES
CC1=COC(=N1)C
Molecular Weight
97.12
Beilstein
27(2)10
Reaxy-Rn
106413
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106413&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.43
Flash Point(°C)
35 °C
Boil Point(°C)
108 °C
Molecular Weight
97.120 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
97.0528 Da
Monoisotopic Mass
97.0528 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
65.099
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
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K2309231
