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1-(Piperidin-4-yl)-5-(trifluoromethyl)-1H-benzo[d][1，2，3]triazole hydrochloride - ≥97%, high purity , CAS No.306935-37-5

COA

Grade & Purity:

≥97%

Cas Number: 306935-37-5
Molecular Weight: 306.72
PubChem CID: 2780683

In stock

Item Number

H701087

Grouped product items
SKU	Size	Availability	Price
H701087-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
H701087-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
H701087-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$832.90

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	Piperidines Benzenoids Triazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic chloride salts Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzotriazole - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Secondary aliphatic amine - Secondary amine - Azacycle - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic nitrogen compound - Amine - Organic chloride salt - Organic salt - 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-piperidin-4-yl-5-(trifluoromethyl)benzotriazole;hydrochloride
INCHI	InChI=1S/C12H13F3N4.ClH/c13-12(14,15)8-1-2-11-10(7-8)17-18-19(11)9-3-5-16-6-4-9;/h1-2,7,9,16H,3-6H2;1H
InChIKey	OBGFRHXXUYUYOS-UHFFFAOYSA-N
Smiles	C1CNCCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2.Cl
Isomeric SMILES	C1CNCCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2.Cl
PubChem CID	2780683
Molecular Weight	306.72

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	306.710 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	306.086 Da
Monoisotopic Mass	306.086 Da
Topological Polar Surface Area	42.700 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	317.000
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	2

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