GRADE & PURITY ≥95%

Synonyms

HDMC|1082951-62-9|5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate(V)|5-Chloro-1-[(dimethyliminio)(morpholino)methyl]-1H-benzo[d][1,2,3]triazole 3-Oxide Hexafluorophosphate(V)|[(5-chloro-3-oxidobenzotr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

HDMC | 1082951-62-9 | 5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1, 2, 3]triazole 3-oxide hexafluorophosphate(V) | 5-Chloro-1-[(dimethyliminio)(morpholino)methyl]-1H-benzo[d][1, 2, 3]triazole 3-Oxide Hexafluorophosphate(V) | [(5-chloro-3-oxidobenzotr

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504772056
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772056
• Sonrisas canónicas: 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
• Isómeros SMILES: C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F
• WGK Alemania: 3
• PubChem CID: 71310878
• Peso molecular: 455.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: 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

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