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3-Bromo-4-methoxy-5-methylaniline - 98%, high purity , CAS No.1215205-12-1

COA

Grade & Purity:

≥98%

Cas Number: 1215205-12-1
Molecular Weight: 216.1
PubChem CID: 53216224

In stock

Item Number

B180191

Grouped product items
SKU	Size	Availability	Price
B180191-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$217.90
B180191-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$756.90
B180191-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,610.90

Basic Description

Synonyms	3-BROMO-4-METHOXY-5-METHYLANILINE \| 1215205-12-1 \| CHEMBL4907437 \| SCHEMBL14300196 \| DTXSID10681480 \| MFCD16618926 \| AKOS015834601 \| PS-11692 \| CS-0211234 \| F87089 \| A891648 \| AS-813/43502054 \| Benzenamine, 3-bromo-4-methoxy-5-methyl-, hydrochloride (1:1) \| 1215266-59-3
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Aminophenyl ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Aminophenyl ethers
Intermediate Tree Nodes	Not available
Direct Parent	Aminophenyl ethers
Alternative Parents	Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aminotoluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - 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
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-bromo-4-methoxy-5-methylaniline
INCHI	InChI=1S/C8H10BrNO/c1-5-3-6(10)4-7(9)8(5)11-2/h3-4H,10H2,1-2H3
InChIKey	HLQONICLKZVZRN-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1OC)Br)N
Isomeric SMILES	CC1=CC(=CC(=C1OC)Br)N
PubChem CID	53216224
Molecular Weight	216.1

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

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

Analytical 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	1
Exact Mass	214.995 Da
Monoisotopic Mass	214.995 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131.000
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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