AG003TNT

6048-29-9 | (2-Oxo-2-phenylethyl)triphenylphosphonium bromide

AG003TNT

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CAS Number	6048-29-9
Catalog Number	AG003TNT(AGN-PC-0JNNS6)
Chemical Name	(2-Oxo-2-phenylethyl)triphenylphosphonium bromide
EC Number	227-945-3
IUPAC Name	phenacyl(triphenyl)phosphanium;bromide
InChI	InChI=1S/C26H22OP.BrH/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChI Key	AEHDSYHVTDJGDN-UHFFFAOYSA-M
MDL Number	MFCD00011920
Molecular Formula	C26H22BrOP
Molecular Weight	461.3300
NSC Number	6743
SMILES	O=C(C1=CC=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Synonyms	6048-29-9, Phenacyltriphenylphosphonium bromide, (2-Oxo-2-phenylethyl)triphenylphosphonium bromide, Phenacyltriphenylphosphoniumbromide, Phosphonium, phenacyltriphenyl-, bromide, NSC 6743, EINECS 227-945-3, Phosphonium, (2-oxo-2-phenylethyl)triphenyl-, bromide, phenacyl(triphenyl)phosphanium bromide, ACMC-209mk8, C26H22BrOP, AC1L52TK, WLN: RV1PR&R&R &E, SCHEMBL1045115, KS-00000VRP, AEHDSYHVTDJGDN-UHFFFAOYSA-M, NSC-6743, ZX-AT021966, 9019AB, AM1093, ANW-33510, MFCD00011920, phenacyl(triphenyl)phosphonium bromide, AKOS001064827, OR10633, TRA0091046, VZ33614, Benzoylmethyltriphenylphosphonium bromide, AK111380, AX8001811, DB-053628, LS-106931, TR-020885, FT-0635954, P1182, ST24026146, (2-oxo-2-phenylethyl)triphenylphosphanium bromide, A832751, I14-60059, Phosphonium, (2-oxo-2-phenylethyl)triphenyl-, bromide (1:1), Phosphonium, (2-oxo-2-phenylethyl)triphenyl-, bromide (9CI), Phosphonium, bromide, C26H22OP.Br, C26-H22-O-P.Br, NSC6743, CID197064, ACN-042220, (Phenylcarbonyl)methyltriphenylphosphonium bromide,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	460.059g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	461.339g/mol
Monoisotopic Mass	460.059g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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