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

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

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Basic Information

Molecular Formula
C11H15ClF6N5OP
Molecular Weight
413.69 g/mol

Physical Properties

Melting Point
185-190 °C

Chemical Identifiers

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

Database References

MDL Number
MFCD04973268
Beilstein Registry Number
14518747

FAQ

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.
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.
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.
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.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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