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2-Bromo-6-ethoxyaniline - 97%, high purity , CAS No.1072945-59-5
Discover 2-Bromo-6-ethoxyaniline by Aladdin Scientific in 97% for only $1,412.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Bromo-6-ethoxyaniline | 1072945-59-5 | DTXSID80674804 | XSB94559 | MFCD11504835 | AKOS015835113 | SB77344 | BS-22854 | CS-0212553 | EN300-1294675 | A895589
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Aminophenyl ethers
Intermediate Tree Nodes
Not available
Direct Parent
Aminophenyl ethers
Alternative Parents
Phenoxy compounds 2-bromoanilines Bromobenzenes Alkyl aryl ethers Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - 2-bromoaniline - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine 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-bromo-6-ethoxyaniline
INCHI
InChI=1S/C8H10BrNO/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2,10H2,1H3
InChIKey
BMRDKLUDXJPIFQ-UHFFFAOYSA-N
Smiles
CCOC1=C(C(=CC=C1)Br)N
Isomeric SMILES
CCOC1=C(C(=CC=C1)Br)N
PubChem CID
46739179
Molecular Weight
216.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
216.070 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
214.995 Da
Monoisotopic Mass
214.995 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
121.000
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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