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4-Bromo-6-fluoro-1H-benzo[d][1，2，3]triazole - ≥98%, high purity , CAS No.937013-96-2

COA

Grade & Purity:

≥98%

Cas Number: 937013-96-2
Molecular Weight: 216.01
MDL number: MFCD29127456
PubChem CID: 58901848

In stock

Item Number

B770523

Grouped product items
SKU	Size	Availability	Price
B770523-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$289.90
B770523-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$492.90
B770523-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,082.90
B770523-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,732.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
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 fluorides Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzotriazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Triazole - 1,2,3-triazole - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - 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	4-bromo-6-fluoro-2H-benzotriazole
INCHI	InChI=1S/C6H3BrFN3/c7-4-1-3(8)2-5-6(4)10-11-9-5/h1-2H,(H,9,10,11)
InChIKey	JTKSVHURHPOGOQ-UHFFFAOYSA-N
Smiles	C1=C(C=C(C2=NNN=C21)Br)F
Isomeric SMILES	C1=C(C=C(C2=NNN=C21)Br)F
PubChem CID	58901848
Molecular Weight	216.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.010 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	214.949 Da
Monoisotopic Mass	214.949 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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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