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2-(2,6-Dibromo-4-nitrophenoxy)acetonitrile - 97%, high purity , CAS No.1221793-70-9
Discover 2-(2,6-Dibromo-4-nitrophenoxy)acetonitrile by Aladdin Scientific in 97% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(2,6-DIBROMO-4-NITROPHENOXY)ACETONITRILE | 1221793-70-9 | DTXSID10681384 | MFCD16036125 | AKOS011379611 | (2,6-Dibromo-4-nitrophenoxy)acetonitrile | BS-21253 | CS-0442664 | Acetonitrile, 2-(2,6-dibromo-4-nitrophenoxy)- | A891183
Specifications & Purity
≥97%
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
Nitrophenyl ethers
Alternative Parents
Phenoxy compounds Phenol ethers Nitroaromatic compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organobromide - Organopnictogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Cyanide - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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-(2,6-dibromo-4-nitrophenoxy)acetonitrile
INCHI
InChI=1S/C8H4Br2N2O3/c9-6-3-5(12(13)14)4-7(10)8(6)15-2-1-11/h3-4H,2H2
InChIKey
KNKHMLWAWGGBHX-UHFFFAOYSA-N
Smiles
C1=C(C=C(C(=C1Br)OCC#N)Br)[N+](=O)[O-]
Isomeric SMILES
C1=C(C=C(C(=C1Br)OCC#N)Br)[N+](=O)[O-]
PubChem CID
53211610
Molecular Weight
335.9
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
335.940 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
335.857 Da
Monoisotopic Mass
333.859 Da
Topological Polar Surface Area
78.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
273.000
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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