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1-Methylsulfonylbenzotriazole - ≥97%, high purity , CAS No.37073-15-7

COA

Grade & Purity:

≥97%

Cas Number: 37073-15-7
Molecular Weight: 197.21
PubChem CID: 792044

In stock

Item Number

M770259

Grouped product items
SKU	Size	Availability	Price	Qty
M770259-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M770259-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90

Basic Description

Specifications & Purity	≥97%
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 Triazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzotriazole - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen 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	1-methylsulfonylbenzotriazole
INCHI	InChI=1S/C7H7N3O2S/c1-13(11,12)10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
InChIKey	OMMZSDGGKVRGGP-UHFFFAOYSA-N
Smiles	CS(=O)(=O)N1C2=CC=CC=C2N=N1
Isomeric SMILES	CS(=O)(=O)N1C2=CC=CC=C2N=N1
WGK Germany	3
PubChem CID	792044
Molecular Weight	197.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.220 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	197.026 Da
Monoisotopic Mass	197.026 Da
Topological Polar Surface Area	73.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	285.000
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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