HDMC - ≥95% , CAS No.1082951-62-9

CAS: 1082951-62-9 Cat. No.: H196186 Fórmula: C₁₃H₁₇ClF₆N₅O₂P Peso molecular: 455.72 Número CE: 802-327-1 PubChem CID: 71310878

GRAU & PUREZA ≥95%

Synonyms

5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate(V)|HDMC|5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole3-oxidehexafluorophosphate(V)|5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate|HDMC;6-HDMCB;HE294183;1082951-62-9;N-[(5-Chloro-3-oxido-1H-benzotriazol-1-yl)-4-morpholinylmethylene]-N-methylmethanaminiumhexafluorophosphate|[(5-chloro-3-oxidobenzotriazol-3-ium-1-yl)-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate|5-Chloro-1-[(dimethyliminio)(morpholino)methyl]-1H-benzo[d][1,2,3]triazole 3-Oxide Hexafluorophosphate(V)|(5-Chloro-3-oxo-1H-1lambda~5~,2,3-benzotriazol-1-yl)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate(V) | HDMC | 5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole3-oxidehexafluorophosphate(V) | 5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate | HDMC;6-HDMCB;H Show more

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504772056

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772056

Sorrisos canónicos

C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F

IUPAC Name

[(5-chloro-3-oxidobenzotriazol-3-ium-1-yl)-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate

InChIKey

MGRTWUAUKJMOER-UHFFFAOYSA-N

INCHI

1S/C13H17ClN5O2.F6P/c1-16(2)13(17-5-7-21-8-6-17)18-11-4-3-10(14)9-12(11)19(20)15-18;1-7(2,3,4,5)6/h3-4,9H,5-8H2,1-2H3;/q+1;-1

SMILES isoméricas

C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F

WGK Alemanha

3

PubChem CID

71310878

Peso molecular

455.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Morpholines Benzenoids Aryl chlorides Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidamides Azacyclic compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Oxacycle - Azacycle - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic salt - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
• Descrição: 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

Data sources

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

Propriedades químicas e físicas

• Sensibilidade: Moisture & light Sensitive.
• Peso molecular: 455.720 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 455.071 Da
• Monoisotopic Mass: 455.071 Da
• Topological Polar Surface Area: 58.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 474.000
• 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

XLogP3