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5-Bromo-2,3-dimethyl-1h-indole - 98%, high purity , CAS No.4583-55-5

COA

Grade & Purity:

≥98%

Cas Number: 4583-55-5
Molecular Weight: 224.1
MDL number: MFCD00850844
PubChem CID: 12793097
PubChem SID: 504767237

In stock

Item Number

B184620

Grouped product items
SKU	Size	Availability	Price
B184620-250mg	250mg	3	$34.90
B184620-1g	1g	3	$105.90
B184620-5g	5g	3	$474.90
B184620-10g	10g	3	$854.90
B184620-25g	25g	2	$1,921.90

View related series

Halogenated heterocyclic block (1171) Pharmaceutical ingredients (367)

Basic Description

Synonyms	AKOS000283161 \| MFCD00850844 \| SCHEMBL410289 \| AF-963/00523045 \| STL428852 \| DTXSID30510046 \| 5-Bromo-2,3-dimethylindole \| 5-bromo-2,3-dimethyl-1H-indole \| BB 0304429 \| C75233 \| SY104933 \| AC-26894 \| IOGAIEWEHFPGNO-UHFFFAOYSA-N \| B5272 \| AS-19043 \| CCG-34
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles
      - Level5 3-alkylindoles
        Level6 3-methylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	3-alkylindoles
Direct Parent	3-methylindoles
Alternative Parents	Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-methylindole - Benzenoid - Substituted pyrrole - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl 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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	504767237
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767237
IUPAC Name	5-bromo-2,3-dimethyl-1H-indole
INCHI	InChI=1S/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKey	IOGAIEWEHFPGNO-UHFFFAOYSA-N
Smiles	CC1=C(NC2=C1C=C(C=C2)Br)C
Isomeric SMILES	CC1=C(NC2=C1C=C(C=C2)Br)C
Molecular Weight	224.1
Reaxy-Rn	125852
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125852&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
L2214084	Certificate of Analysis	Oct 31, 2022	B184620
L2214117	Certificate of Analysis	Oct 31, 2022	B184620
L2214083	Certificate of Analysis	Oct 31, 2022	B184620
L2214123	Certificate of Analysis	Oct 31, 2022	B184620
L2213019	Certificate of Analysis	Oct 31, 2022	B184620

Chemical and Physical Properties

Melt Point(°C)	138 °C
Molecular Weight	224.100 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	223 Da
Monoisotopic Mass	223 Da
Topological Polar Surface Area	15.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171.000
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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