AG003DXN

6258-06-6 | 1-Amino-4-bromoanthraquinone-2-sulfonic acid sodium salt

AG003DXN

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CAS Number	6258-06-6
Catalog Number	AG003DXN(AGN-PC-0T51IJ)
Chemical Name	1-Amino-4-bromoanthraquinone-2-sulfonic acid sodium salt
EC Number	228-391-5
IUPAC Name	sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate
InChI	InChI=1S/C14H8BrNO5S.Na/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18;/h1-5H,16H2,(H,19,20,21);/q;+1/p-1
InChI Key	TXMRAEGWZZVGIH-UHFFFAOYSA-M
MDL Number	MFCD00019160
Molecular Formula	C14H7BrNNaO5S
Molecular Weight	404.1678
SMILES	O=C(C3=C2C=CC=C3)C1=C(Br)C=C(S(=O)([O-])=O)C(N)=C1C2=O.[Na+]
Synonyms	Bromaminic acid sodium salt, 6258-06-6, Bromamine acid sodium salt, 1-Amino-4-bromoanthraquinone-2-sulfonic Acid Sodium Salt, sodium 1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate, EINECS 228-391-5, MFCD00019160, Bromaminan sodny, NSC 164929, 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt, Sodium 1-amino-4-bromoanthraquinone-2-sulfonate, 2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-, monosodium salt, 1-Amino-4-bromanthrachinon-2-sulfonan sodny [Czech], 1-Amino-4-bromoanthraquinone-2-sulfonic sodium salt, W-104992, Sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonate, 2-Anthraquinonesulfonic acid, 1-amino-4-bromo-, sodium salt, CHEMBL270415, 2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-, sodium salt (1:1), 2-ANTHRACENESULFONIC ACID, 9,10-DIHYDRO-1-AMINO-4-BROMO-9,10-DIOXO-, SODIUM SALT, 1-Amino-4-bromanthrachinon-2-sulfonan sodny, 1-amino-4-bromo-9,10-dioxo-anthracene-2-sulfonic acid, AC1NNSRC, C14H7BrNO5S.Na, Bromaminan sodny [Czech], DSSTox_CID_9277, Bromaminan sodny [Czech], DSSTox_RID_78743, DSSTox_GSID_29277, SCHEMBL3378291, DTXSID9029277, CTK8B2869, TXMRAEGWZZVGIH-UHFFFAOYSA-M, Tox21_202576, 6247AF, ANW-41217, AKOS001071683, NCGC00260125-01, AS-10398, LS-20378, CAS-6258-06-6, TR-021519, A0279, FT-0721410, EC 228-391-5, 1-(5-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE, C-58058, I04-8686, I14-10078, 1-Amino-4-bromo-2-anthraquinone sulfonic acid, sodium salt, 1-Amino-4-bromo-2-anthraquinonesulfonic acid, sodium salt, sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate, Bromaminic acid, CID22627, CID5076555, 1-AMINO-4-BROMOANTHRAQUINONE-2-SULFONICACIDSODIUMSALT, 84-65-1,

Complexity	607
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	402.913g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	404.166g/mol
Monoisotopic Mass	402.913g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number