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4-Bromo-N，2-dimethylaniline - ≥97%, high purity , CAS No.59557-89-0

COA

Grade & Purity:

≥97%

Cas Number: 59557-89-0
Molecular Weight: 200.08
PubChem CID: 22042599

In stock

Item Number

B730433

Grouped product items
SKU	Size	Availability	Price	Qty
B730433-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90
B730433-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,045.90

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	Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Secondary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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	4-bromo-N,2-dimethylaniline
INCHI	InChI=1S/C8H10BrN/c1-6-5-7(9)3-4-8(6)10-2/h3-5,10H,1-2H3
InChIKey	VCZTYYHYOULJLT-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)Br)NC
Isomeric SMILES	CC1=C(C=CC(=C1)Br)NC
PubChem CID	22042599
Molecular Weight	200.08

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	200.080 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	199 Da
Monoisotopic Mass	199 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
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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