CAS 330645-87-9

1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)

Description:

1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) is a complex organic compound characterized by its unique structure, which includes a benzotriazole moiety and a hexafluorophosphate counterion. This substance typically exhibits properties such as high solubility in polar organic solvents, making it useful in various chemical applications, including as a reagent in organic synthesis and as a potential catalyst. The presence of the bis(dimethylamino)methylene group contributes to its nucleophilic characteristics, while the chloro substituent may influence its reactivity and stability. The hexafluorophosphate anion is known for its ability to stabilize cationic species, enhancing the compound's overall stability in solution. Additionally, this compound may exhibit interesting photophysical properties, which can be leveraged in materials science and photochemistry. Safety considerations should be taken into account due to the potential toxicity associated with the dimethylamino groups and the halogenated components. Overall, this compound represents a versatile building block in advanced chemical research and applications.

Formula: C₁₁H₁₅ClN₅O·F₆P

InChI: InChI=1S/C11H15ClN5O.F6P/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1

InChI key: InChIKey=AFTGMAUNHUBGAW-UHFFFAOYSA-N

SMILES: C(N(C)C)(N(C)C)=[N+]1C=2C(N(=O)=N1)=CC(Cl)=CC2.[P+5]([F-])([F-])([F-])([F-])([F-])[F-]

Synonyms:

• 1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
• 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-5-chloro-, 3-oxide, hexafluorophosphate(1-) (1:1)
• 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-5-chloro-, hexafluorophosphate(1-), 3-oxide
• 5-Chloro-1-[Bis(Dimethylamino)Methylene]-1H-Benzotriazolium 3-Oxide Hexafluorophosphate
• 5-Chloro-1-[Bis(dimethylamino)methylene]-1H-Benzotriazolium3-Oxide Hexafluorophosphate
• N-{[(6-chloro-1H-benzotriazol-1-yl)oxy](dimethylamino)methylidene}-N-methylmethanaminium fluoride- pentafluoro-λ5-phosphane (1:1)
• O-(6-Chloro-1-hydrocibenzotriazol-1-yl)-1,1,3,3-tetramethyluroniumhexafluorophosphate
• O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate
• [(6-Chlorobenzotriazol-1-Yl)Oxy-(Dimethylamino)Methylidene]-Dimethylazanium,Hexafluorophosphate
• HCTU

O-(6-Chloro-1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 98+%

CAS: 330645-87-9

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: 98+%

Color and Shape: Powder, White to pale cream

Molecular weight: 413.69

Ref: 02-H26402

1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)

CAS: 330645-87-9

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: 97%

Color and Shape: Solid

Molecular weight: 413.6869

Ref: IN-DA003827

O-(1H-6-Chlorobenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate

CAS: 330645-87-9

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: ≥ 99.0%

Color and Shape: White to off-white crystalline powder

Molecular weight: 413.69

Ref: 7W-GE2187

O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate

CAS: 330645-87-9

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 413.69

Ref: 3B-C1988

O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

CAS: 330645-87-9

O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

Formula: C₁₁H₁₅ClN₅O·PF₆

Purity: 98%

Color and Shape: white powder

Molecular weight: 413.68687g/mol

Ref: 54-PC8347

HCTU Reagent

CAS: 330645-87-9

HCTU Reagent is an organic compound that is used for diagnosis of infectious diseases, chemical biology, and polymerase chain reaction. It is a disulfide bond-forming reagent that contains two reactive thiols and can be used to form a disulfide bond between two cysteine residues. HCTU Reagent has been shown to be effective in the treatment of prostate cancer cells by inhibiting the growth factor-β1 receptor and preventing the binding of heme to its intracellular site. This reagent also binds to iron and has conformational properties that are important for cyclic lipopeptides.

Formula: C₁₁H₁₅N₅OClPF₆

Purity: Min. 98.0 Area-%

Molecular weight: 413.69 g/mol

Ref: 3D-KHC-1018-PI

HCTU

CAS: 330645-87-9

HCTU is a coupling reagent used for amide and ester formation and commonly employed in peptide synthesis. HCTU is analogous to HBTU and has a Cl substituent on the phenyl ring in the 6 position. HCTU is non-toxic, stable in DMF, suitable for solid-phase and in solution synthesis. High purities, short reaction times and high coupling efficiency can be achieved when HCTU is employed, with performances comparable to HATU but at a more affordable price.

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 413.69 g/mol

Ref: 3D-FH15560

1-(Bis-dimethylamino-methylene)-5-chloro-3-oxy-1H-benzotriazol-1-ium hexafluorophosphate

CAS: 330645-87-9

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: 97.0%

Color and Shape: Solid, Powder or Crystalline Powder

Molecular weight: 413.69

Ref: 10-F024888

HCTU extrapure, 98%

CAS: 330645-87-9

Formula: C₁₁H₁₅ClF₆N₅OP

Purity: min. 98%

Color and Shape: White to off-white, Crystalline Powder

Molecular weight: 413.69

Ref: SR-73322