AG0038B7

118129-60-5 | 1,7-Dibromo-3,4,9,10-perylenetetracarboxylic dianhydride

AG0038B7

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CAS Number	118129-60-5
Catalog Number	AG0038B7(AGN-PC-0NFXZR)
Chemical Name	1,7-Dibromo-3,4,9,10-perylenetetracarboxylic dianhydride
IUPAC Name	11,22-dibromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
InChI	InChI=1S/C24H6Br2O6/c25-13-5-12-16-10(22(28)32-24(12)30)4-2-8-18-14(26)6-11-15-9(21(27)31-23(11)29)3-1-7(19(15)18)17(13)20(8)16/h1-6H
InChI Key	WPBVUAVIGWNDGT-UHFFFAOYSA-N
MDL Number	MFCD11870875
Molecular Formula	C24H6Br2O6
Molecular Weight	550.1088
SMILES	O=C(O1)C(C2=C(C1=O)C=CC3=C42)=CC(Br)=C4C5=CC=C(C6=O)C7=C5C3=C(Br)C=C7C(O6)=O
Synonyms	118129-60-5, 5,12-Dibromoanthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone, 1,7-Dibromo-3,4,9,10-perylenetetracarboxylic Dianhydride, AK101251, 1,7-Dibromo-3,4,9,10-tetracarboxylic acid dianhydride, Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone, 5,12-dibromo-, C24H6Br2O6, 1,7-Dibromoperylene-3,4,9,10-tetracarboxydianhydride, SCHEMBL4324585, CTK8B8436, DTXSID00455258, KS-00000YX7, 2958AA, ANW-60357, CD-781, MFCD11870875, AKOS016003164, ZINC100034456, GS-5769, AX8232790, TC-149102, D3871, FT-0697385, 5,12-Dibromoperylo[10,9-cd:3,4-c'd']dipyran-1,3,8,10-tetrone, 5,12-Dibromoperylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetraone, 5,12-Dibromoanthra[2,1,9-def:6,5,10-d'e'f']-diisochromene-1,3,8,10-tetraone, 11,22-dibromo-7,18-dioxaheptacyclo[14.6.2.2^{2,5}.0^{3,12}.0^{4,9}.0^{13,23}.0^{20,24}]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone, CID11103604, CID 11103604,

Complexity	862
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	549.851g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	550.114g/mol
Monoisotopic Mass	547.853g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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