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4-Amino-2-bromo-6-chlorophenol - 98%, high purity , CAS No.1158322-54-3
Discover 4-Amino-2-bromo-6-chlorophenol by Aladdin Scientific in 98% for only $2,219.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-AMINO-2-BROMO-6-CHLOROPHENOL | 1158322-54-3 | 4-Amino-2-bromo-6-chloro-phenol | SCHEMBL9933014 | DTXSID80603412 | MFCD12402422 | Phenol, 4-amino-2-bromo-6-chloro- | AKOS005217070 | BS-19475 | BB 0246797 | A893808
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Chlorophenols
Direct Parent
O-chlorophenols
Alternative Parents
p-Aminophenols O-bromophenols Aniline and substituted anilines Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Primary amines Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenol - P-aminophenol - Aniline or substituted anilines - 2-bromophenol - 2-chlorophenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of 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
4-amino-2-bromo-6-chlorophenol
INCHI
InChI=1S/C6H5BrClNO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
CFMMTSSIIJSWNG-UHFFFAOYSA-N
Smiles
C1=C(C=C(C(=C1Cl)O)Br)N
Isomeric SMILES
C1=C(C=C(C(=C1Cl)O)Br)N
Molecular Weight
222.5
Reaxy-Rn
3246153
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3246153&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
222.470 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
220.924 Da
Monoisotopic Mass
220.924 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
124.000
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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