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4-Bromo-2,3,5,6-tetramethylaniline - 97%, high purity , CAS No.53965-69-8

COA

Grade & Purity:

≥97%

Cas Number: 53965-69-8
Molecular Weight: 228.1
PubChem CID: 8167159

In stock

Item Number

B185087

Grouped product items
SKU	Size	Availability	Price	Qty
B185087-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$244.90

Basic Description

Synonyms	4-bromo-2,3,5,6-tetramethylaniline \| 53965-69-8 \| 4-bromo-2,3,5,6-tetramethylphenylamine \| 3-Amino-6-bromodurene \| DTXSID10429107 \| MFCD09260833 \| AKOS015908364 \| BS-28773 \| CS-0186948 \| D95003 \| AE-562/43287132
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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	4-bromo-2,3,5,6-tetramethylaniline
INCHI	InChI=1S/C10H14BrN/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H2,1-4H3
InChIKey	VENKISSLGWHCOE-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C(=C1N)C)C)Br)C
Isomeric SMILES	CC1=C(C(=C(C(=C1N)C)C)Br)C
Molecular Weight	228.1
Reaxy-Rn	3242726
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3242726&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.130 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	227.031 Da
Monoisotopic Mass	227.031 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	144.000
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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