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4-Bromo-N-(p-tolyl)aniline - ≥95%, high purity , CAS No.858516-23-1

COA

Grade & Purity:

≥95%

Cas Number: 858516-23-1
Molecular Weight: 262.14
PubChem CID: 11959048

In stock

Item Number

B726387

Grouped product items
SKU	Size	Availability	Price
B726387-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
B726387-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90
B726387-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$572.90
B726387-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,340.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	Aniline and substituted anilines Bromobenzenes Primary aromatic amines Aryl bromides Secondary amines Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Primary aromatic amine - Aryl halide - Aryl bromide - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
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

Names and Identifiers

IUPAC Name	N-(4-bromophenyl)-4-methylaniline
INCHI	InChI=1S/C13H12BrN/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9,15H,1H3
InChIKey	BGBUEPYWYDNJQN-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)NC2=CC=C(C=C2)Br
Isomeric SMILES	CC1=CC=C(C=C1)NC2=CC=C(C=C2)Br
PubChem CID	11959048
Molecular Weight	262.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	262.140 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	261.015 Da
Monoisotopic Mass	261.015 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	179.000
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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