1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1λ⁵,2,3λ⁵-benzotriazol-1-ylium hexafluoro-λ⁵-phosphanuide | CAS No. 330645-87-9

1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1λ⁵,2,3λ⁵-benzotriazol-1-ylium hexafluoro-λ⁵-phosphanuide

Basic Information

CAS Number

330645-87-9

Molecular Formula

C11H15ClF6N5OP

Molecular Weight

413.69 g/mol

AD

Basic Physical Properties

Melting Point

185-190 °C

CN(C)C(=[N+](C)C)ON1C2=C(C=CC(=C2)Cl)N=N1.F[P-](F)(F)(F)(F)F

InChI

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

InChIKey

ZHHGTMQHUWDEJF-UHFFFAOYSA-N

LogP

4.08540

Complexity

381

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • 1415232-65-3
  • 2-(6-chloro-1H-benzo[d][1,2,3]triazol-1-yl)-1,1,3,3-tetramethylisouroniumhexafluorophosphate(V)
  • [(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate
  • 2-(6-chloro-1h-benzotriazole-1-yl)-1,1,3,3-tetramethylaminium hexafluorophosphate
  • 1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1
  • N,N,N?,N?-Tetramethyl-O-(6-chloro-1H-benzotriazol-1-yl)uronium hexafluorophosphate
  • J-018999
  • O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, >=98.0% (HPLC)
  • E?-benzotriazol-1-ylium hexafluoro-
  • AKOS015965072
  • CS-W011667
  • AC-4419
  • 1-(Bis-dimethylamino-methylene)-5-chloro-3-oxy-1H-benzotriazol-1-ium hexafluorophosphate
  • O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
  • J-517243
  • 330645-87-9
  • O-(1H-6-Chlorobenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (HCTU)
  • AKOS015965073
  • HCTU
  • SCHEMBL19894763
  • O-(6-Chlorobenzotriazol-1-yl)-N,N,N`,N`-tetramethyluronium Hexafluorophosphate
  • o-(1h-6-chlorobenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate
  • E?-phosphanuide
  • 1-[Bis(dimethylamino)methylen]-5-chlorobenzotriazolium 3-oxide hexafluorophosphate
  • ZHHGTMQHUWDEJF-UHFFFAOYSA-N
  • N,N,N',N'-Tetramethyl-O-(6-chloro-1H-benzotriazol-1-yl)uronium hexafluorophosphate
  • E?,2,3
  • C1988
  • AS-15582
  • HY-W010951
  • 2-(6-chloro-1H-benzo[d][1,2,3]triazol-1-yl)-1,1,3,3-tetramethylisouronium hexafluorophosphate(V)

MDL Number

MFCD04973268

Customs Code

29339990

FAQ

What are the physical and chemical properties of 1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1λ⁵,2,3λ⁵-benzotriazol-1-ylium hexafluoro-λ⁵-phosphanuide (CAS: 330645-87-9)?

This compound is a solid crystalline material with a molecular weight of approximately 466.7 g/mol. It is poorly soluble in water but soluble in organic solvents. It exhibits high reactivity in nucleophilic substitution reactions and is known for its stability in air and light. The compound is used in various chemical applications due to its unique reactivity and stability.

How is 1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1λ⁵,2,3λ⁵-benzotriazol-1-ylium hexafluoro-λ⁵-phosphanuide (CAS: 330645-87-9) typically synthesized?

This compound can be synthesized via a multi-step reaction involving chlorobenzotriazole, dimethylamine, and hexafluorophosphine. The synthesis involves precise control over reaction conditions, including temperature and solvent choice, to achieve high yield and selectivity. Commonly used catalysts include boron trifluoride and phosphine ligands.

What industries use 1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1λ⁵,2,3λ⁵-benzotriazol-1-ylium hexafluoro-λ⁵-phosphanuide (CAS: 330645-87-9)?

This compound is primarily used in the pharmaceutical, polymer, and semiconductor industries. It is a key reagent in the synthesis of various pharmaceutical intermediates and in developing new materials with specific properties. Its applications in sensor technology and as a protective additive in polymers are also growing.

What precautions should be taken when handling 1-[bis(dimethylamino)methylidene]-5-chloro-3-oxo-1H-1λ⁵,2,3λ⁵-benzotriazol-1-ylium hexafluoro-λ⁵-phosphanuide (CAS: 330645-87-9)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work must be conducted in a fume hood due to its volatility and reactivity. Spills should be managed by wiping them up with absorbent material and disposing of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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