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(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate

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Name

(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate

EINECS N/A
CAS No. 105379-24-6 Density N/A
PSA 59.78000 LogP 4.39710
Solubility acetonitrile: 0.1 g/mL, clear Melting Point 176 °C (dec.)(lit.)
Formula C15H20N5O.PF6 Boiling Point N/A
Molecular Weight 431.32 Flash Point N/A
Transport Information N/A Appearance White or off-white power
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 105379-24-6 ((Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate) Hazard Symbols IrritantXi
Synonyms

1H-Benzotriazolium,1-(di-1- pyrrolidinylmethylene)-,3-oxide,hexafluorophosphate(1-);HBPyU;

 

(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate 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

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