The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
5-(Dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole - 97%, high purity , CAS No.905107-54-2
Discover 5-(Dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole by Aladdin Scientific in 97% for only $2,195.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(DICHLOROMETHYL)-3-(3-NITROPHENYL)-1,2,4-OXADIAZOLE | 905107-54-2 | DTXSID50674977 | MFCD01883255 | AKOS015848441 | BS-23299 | A860788
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
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
5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
INCHI
InChI=1S/C9H5Cl2N3O3/c10-7(11)9-12-8(13-17-9)5-2-1-3-6(4-5)14(15)16/h1-4,7H
InChIKey
JYOMJJFPJLSWKA-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C(Cl)Cl
Isomeric SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C(Cl)Cl
PubChem CID
46739367
Molecular Weight
274.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
274.060 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
272.971 Da
Monoisotopic Mass
272.971 Da
Topological Polar Surface Area
84.700 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
287.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
