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2-Bromo-N-cyclopropyl-4-nitroaniline - 95%, high purity , CAS No.1250973-55-7
Discover 2-Bromo-N-cyclopropyl-4-nitroaniline by Aladdin Scientific in 95% for only $1,144.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-BROMO-N-CYCLOPROPYL-4-NITROANILINE | 1250973-55-7 | 2-Bromo-1-cyclopropylamino-1-nitrobenzene | DTXSID30681427 | AMY36333 | MFCD16085276 | AKOS010989927 | BS-19655 | Benzenamine, 2-bromo-N-cyclopropyl-4-nitro- | CS-0208531 | A890308
Specifications & Purity
≥95%
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
Phenylalkylamines Nitroaromatic compounds 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - 2-bromoaniline - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl bromide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organobromide - Organic salt - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Aromatic homomonocyclic 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-bromo-N-cyclopropyl-4-nitroaniline
INCHI
InChI=1S/C9H9BrN2O2/c10-8-5-7(12(13)14)3-4-9(8)11-6-1-2-6/h3-6,11H,1-2H2
InChIKey
MSCGRVSODPHUAF-UHFFFAOYSA-N
Smiles
C1CC1NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Isomeric SMILES
C1CC1NC2=C(C=C(C=C2)[N+](=O)[O-])Br
PubChem CID
53211681
Molecular Weight
257.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
257.079 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
255.985 Da
Monoisotopic Mass
255.985 Da
Topological Polar Surface Area
57.900 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
227.000
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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