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5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole - 97%, high purity , CAS No.944718-31-4

COA

Grade & Purity:

≥97%

Cas Number: 944718-31-4
Molecular Weight: 212.05
PubChem CID: 57642578

In stock

Item Number

B195994

Grouped product items
SKU	Size	Availability	Price	Qty
B195994-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90
B195994-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Discover 5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole by Aladdin Scientific in 97% for only $30.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Bromo-1-methyl-1H-benzo[d][1,2,3]triazole \| 944718-31-4 \| 5-bromo-1-methylbenzotriazole \| 5-bromo-1-methyl-1H-1,2,3-benzotriazole \| 5-BROMO-1-METHYL-1,2,3-BENZOTRIAZOLE \| MFCD19288764 \| SCHEMBL12100525 \| PPUYITCIMJVKFE-UHFFFAOYSA-N \| AMY11285 \| AKOS023413799 \| DS-9611 \| SY11
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzotriazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzotriazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzotriazoles
Alternative Parents	Benzenoids Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzotriazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - 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 benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
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	5-bromo-1-methylbenzotriazole
INCHI	InChI=1S/C7H6BrN3/c1-11-7-3-2-5(8)4-6(7)9-10-11/h2-4H,1H3
InChIKey	PPUYITCIMJVKFE-UHFFFAOYSA-N
Smiles	CN1C2=C(C=C(C=C2)Br)N=N1
Isomeric SMILES	CN1C2=C(C=C(C=C2)Br)N=N1
Molecular Weight	212.05
Reaxy-Rn	15600992
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15600992&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	212.050 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	210.975 Da
Monoisotopic Mass	210.975 Da
Topological Polar Surface Area	30.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153.000
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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