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Carbonic acid 1-phenylethylene ester - 95%, high purity , CAS No.4427-92-3
Basic Description
Synonyms
SCHEMBL272449 | 1-Phenyl-1,2-ethylene carbonate | 4-Phenyl-1,3-dioxolan-2-one # | 4-phenyl-[1,3]dioxolan-2-one | EN300-216546 | Carbonic acid 1-phenylethylene ester | 1-phenylethylene carbonate | 1,3-Dioxolan-2-one, 4-phenyl- | BS-45801 | Cyclic phenyleth
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Carbonic acid diesters 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Carbonic acid diester - Monocyclic benzene moiety - Meta-dioxolane - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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
4-phenyl-1,3-dioxolan-2-one
INCHI
InChI=1S/C9H8O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
ZKOGUIGAVNCCKH-UHFFFAOYSA-N
Smiles
C1C(OC(=O)O1)C2=CC=CC=C2
Isomeric SMILES
C1C(OC(=O)O1)C2=CC=CC=C2
PubChem CID
234226
NSC Number
NSC Number': ['33703
Molecular Weight
164.16
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive
Molecular Weight
164.160 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
164.047 Da
Monoisotopic Mass
164.047 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
173.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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J2408634