Name: 2-Bromo-5-(trifluoromethyl)phenylhydrazine, HCl - ≥98% , CAS No.529512-78-5
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Phenylhydrazines Bromobenzenes Aryl bromides Organopnictogen compounds Organofluorides Organobromides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenylhydrazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrazine derivative - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	291.490 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	289.943 Da
Monoisotopic Mass	289.943 Da
Topological Polar Surface Area	38.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174.000
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	2

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1=CC(=C(C=C1C(F)(F)F)NN)Br.Cl
IUPAC Name	[2-bromo-5-(trifluoromethyl)phenyl]hydrazine;hydrochloride
InChIKey	QAEDGRVAFKSCMX-UHFFFAOYSA-N
INCHI	1S/C7H6BrF3N2.ClH/c8-5-2-1-4(7(9,10)11)3-6(5)13-12;/h1-3,13H,12H2;1H
Isómeros SMILES	C1=CC(=C(C=C1C(F)(F)F)NN)Br.Cl
PubChem CID	2773418
Peso molecular	291.5

2-Bromo-5-(trifluoromethyl)phenylhydrazine, HCl - ≥98% , CAS No.529512-78-5

Specifications