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Benzo[c][1，2，5]oxadiazol-5-amine - ≥95%, high purity , CAS No.874-36-2

COA

Grade & Purity:

≥95%

Cas Number: 874-36-2
Molecular Weight: 135.13
PubChem CID: 4306964

In stock

Item Number

B709133

Grouped product items
SKU	Size	Availability	Price	Qty
B709133-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90
B709133-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$585.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxadiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxadiazoles
Alternative Parents	Primary aromatic amines Benzenoids Heteroaromatic compounds Furazans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxadiazole - Primary aromatic amine - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
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	2,1,3-benzoxadiazol-5-amine
INCHI	InChI=1S/C6H5N3O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChIKey	JBKKAEOGAYZJCM-UHFFFAOYSA-N
Smiles	C1=CC2=NON=C2C=C1N
Isomeric SMILES	C1=CC2=NON=C2C=C1N
PubChem CID	4306964
Molecular Weight	135.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	135.120 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	135.043 Da
Monoisotopic Mass	135.043 Da
Topological Polar Surface Area	64.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130.000
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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