AG000XOL

128-63-2 | Pyrene, 1,3,6,8-tetrabromo-

AG000XOL

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CAS Number	128-63-2
Catalog Number	AG000XOL(AGN-PC-0JL7NP)
Chemical Name	Pyrene, 1,3,6,8-tetrabromo-
EC Number	204-900-6
IUPAC Name	1,3,6,8-tetrabromopyrene
InChI	InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
InChI Key	ZKBKRTZIYOKNRG-UHFFFAOYSA-N
MDL Number	MFCD00428682
Molecular Formula	C16H6Br4
Molecular Weight	517.8348
SMILES	BrC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)Br)Br)Br
UNII	6VWU1E395N
Synonyms	1,3,6,8-Tetrabromopyrene, 128-63-2, Pyrene, 1,3,6,8-tetrabromo-, 1,3,6,8-Tetrabromo-pyrene, UNII-6VWU1E395N, 6VWU1E395N, AK-88039, C16H6Br4, EINECS 204-900-6, BAS 00428472, ACMC-1BOAD, 1,3,6,8- Tetrabromopyrene, AC1L271B, AC1Q27A3, SCHEMBL1005904, DTXSID2029165, CTK0H5404, ZKBKRTZIYOKNRG-UHFFFAOYSA-N, ZINC3156905, 1,3,6,8-Tetrabromopyrene, 97%, ABP001038, ANW-19081, MFCD00428682, AKOS003620496, LS40825, MCULE-5486506499, SB01009, SY052723, AX8237181, DB-062650, TR-031486, FT-0755634, X4429, MFCD00428682 (97%), J-005616, I14-58491, C16-H6-Br4, KST-1B0149, CID67188, AR-1B6384, T2716, 1,3,6,8-Tetrabromopyrene, 98% - 1G 1g, 13059-77-3,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	517.716g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	517.84g/mol
Monoisotopic Mass	513.72g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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