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2-(4-Nitrophenyl)-1,3-dioxolane - 98%, high purity , CAS No.2403-53-4
Discover 2-(4-Nitrophenyl)-1,3-dioxolane by Aladdin Scientific in 98% for only $312.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(4-Nitrophenyl)-1,3-dioxolane | 2403-53-4 | 2-(p-Nitrophenyl)-1,3-dioxolane | p-Nitrobenzaldehyde ethylene acetal | MFCD00550438 | 1,3-Dioxolane,2-(4-nitrophenyl)- | NSC105593 | 1,3-Dioxolane, 2-(p-nitrophenyl)- | 1,3-Dioxolane, 2-(4-nitrophenyl)- | 1, 2-(p-nitrophenyl)-
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds 1,3-dioxolanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Meta-dioxolane - C-nitro compound - Organic nitro compound - Acetal - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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.
Names and Identifiers
IUPAC Name
2-(4-nitrophenyl)-1,3-dioxolane
INCHI
InChI=1S/C9H9NO4/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2
InChIKey
RIXYVXYKLYQCSM-UHFFFAOYSA-N
Smiles
C1COC(O1)C2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES
C1COC(O1)C2=CC=C(C=C2)[N+](=O)[O-]
Molecular Weight
195.2
Reaxy-Rn
191227
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=191227&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
195.170 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
195.053 Da
Monoisotopic Mass
195.053 Da
Topological Polar Surface Area
64.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
201.000
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
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