AG004Q8W

85-22-3 | Benzene, 1,​2,​3,​4,​5-​pentabromo-​6-​ethyl-

AG004Q8W

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CAS Number	85-22-3
Catalog Number	AG004Q8W(AGN-PC-03MRFV)
Chemical Name	Benzene, 1,​2,​3,​4,​5-​pentabromo-​6-​ethyl-
EC Number	201-593-0
IUPAC Name	1,2,3,4,5-pentabromo-6-ethylbenzene
InChI	InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
InChI Key	FIAXCDIQXHJNIX-UHFFFAOYSA-N
MDL Number	MFCD00000061
Molecular Formula	C8H5Br5
Molecular Weight	500.6453
SMILES	C(C)c1c(Br)c(Br)c(c(c1Br)Br)Br
UNII	697LYO57KP
Synonyms	2,3,4,5,6-pentabromoethylbenzene, PEB cpd, 2,3,4,5,6-Pentabromoethylbenzene, 85-22-3, PENTABROMOETHYLBENZENE, 1,2,3,4,5-Pentabromo-6-ethylbenzene, Benzene, pentabromoethyl-, EB 80, UNII-697LYO57KP, CCRIS 4852, EINECS 201-593-0, BRN 3133073, 697LYO57KP, Benzene,1,2,3,4,5-pentabromo-6-ethyl-, Benzene, 1,2,3,4,5-pentabromo-6-ethyl-, W-109308, (Pentabromophenyl)ethane, DSSTox_CID_1782, AC1L1NC1, AC1Q25EH, DSSTox_GSID_21782, 3-05-00-00801 (Beilstein Handbook Reference), SCHEMBL3683190, CHEMBL3560446, DTXSID7021782, CTK5F4579, FIAXCDIQXHJNIX-UHFFFAOYSA-N, ZINC2242571, Tox21_303981, FCH1325461, LS-1847, VZ22068, CAS-85-22-3, NCGC00357205-01, 1,2,3,4,5-Pentabromo-6-ethylbenzene #, FT-0631396, 2,3,4,5,6-Pentabromoethylbenzene, analytical standard, C8H5Br5, PBEB (Pentabromoethylbenzene), C8-H5-Br5, CID6800, 2,3,4,5,6-pentabromethylbenzen, KST-1B9195, AR-1B5064, 91290-35-6, PEB,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	499.627g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	500.648g/mol
Monoisotopic Mass	495.631g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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