AG001R2N

15898-47-2 | Phosphonium, (cyanomethyl)triphenyl-, bromide (1:1)

AG001R2N

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CAS Number	15898-47-2
Catalog Number	AG001R2N(AGN-PC-00GN94)
Chemical Name	Phosphonium, (cyanomethyl)triphenyl-, bromide (1:1)
IUPAC Name	cyanomethyl(triphenyl)phosphanium;bromide
InChI	InChI=1S/C20H17NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
InChI Key	QBGFELJINDMTMH-UHFFFAOYSA-M
MDL Number	MFCD00031671
Molecular Formula	C20H17BrNP
Molecular Weight	382.2334
SMILES	N#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Synonyms	(Cyanomethyl)triphenylphosphonium bromide, 15898-47-2, Cyanomethyl triphenylphosphonium bromide, C20H17BrNP, SCHEMBL1654831, CTK4C9903, DTXSID60473317, QBGFELJINDMTMH-UHFFFAOYSA-M, 7987AA, MFCD00031671, AKOS016010479, (Cyanomethyl)triphenylphosphoniumbromide, triphenyl cyanomethyl phosphonium bromide, AK117456, CC-00868, AX8046505, CS-0030399, FT-0729365, C-24562, Phosphonium,(cyanomethyl)triphenyl-, bromide (1:1), ACN-042190, CID11811037, Cyanomethyl-triphenyl-phosphanium Bromide,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	381.028g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	382.241g/mol
Monoisotopic Mass	381.028g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number