CAS No.105379-24-6,(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	105379-24-6
Name:	(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate

Formula:	C₁₅H₂₀N₅O^.PF₆
Molecular Weight:	431.32
Synonyms:	1H-Benzotriazolium,1-(di-1- pyrrolidinylmethylene)-,3-oxide,hexafluorophosphate(1-);HBPyU;
Melting Point:	176 °C (dec.)(lit.)
Solubility:	acetonitrile: 0.1 g/mL, clear
Appearance:	White or off-white power
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	59.78000
LogP:	4.39710

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Specification

The (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate with the CAS number 105379-24-6 is also called 1H-Benzotriazolium,1-(di-1- pyrrolidinylmethylene)-,3-oxide,hexafluorophosphate(1-). The IUPAC name is 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole hexafluorophosphate. Its molecular formula is C₁₅H₂₀N₅O^.PF₆. The product category is Coupling Reagent.

Properties of the (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate computed from structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 3; (4)Exact Mass: 431.130966; (5)MonoIsotopic Mass: 431.130966; (6)Topological Polar Surface Area: 46.2; (7)Heavy Atom Count: 28; (8)Formal Charge: 0; (9)Complexity: 441; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
(2)InChI: InChI=1S/C15H20N5O.F6P/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-
18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1
(3)InChIKey: XKTRAGMCMJYRRN-UHFFFAOYSA-N