AG001WC8

16574-43-9 | Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide

AG001WC8

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CAS Number	16574-43-9
Catalog Number	AG001WC8(AGN-PC-0Q8RIU)
Chemical Name	Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide
EC Number	240-632-6
IUPAC Name	2',7'-dibromo-1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
InChI	InChI=1S/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H
InChI Key	QFXYYBXMARTXHI-UHFFFAOYSA-N
MDL Number	MFCD00148865
Molecular Formula	C19H10Br2O8S
Molecular Weight	558.1509
NSC Number	315537
SMILES	OC1=C(O)C2=C(C3(C4=C(O2)C(O)=C(O)C(Br)=C4)C5=CC=CC=C5S(O3)(=O)=O)C=C1Br
Synonyms	Bromopyrogallol red, 16574-43-9, 2',7'-Dibromo-3',4',5',6'-tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide, Pyrogallol bromine red, MFCD00148865, Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide, Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide, B-8944, 2',7'-Dibromo-3',4',5',6'-tetrahydroxyspiro[benzo-[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide, C19H10Br2O8S, Brompyrogallolrot, EINECS 240-632-6, NSC 315537, AI3-63055, AC1L39L9, AC1Q27C1, SCHEMBL2858413, US8987474, Bromopyrogallol, CHEMBL3692122, DTXSID0066082, CTK8C0047, BDBM152155, ZINC5641946, 8416AA, ANW-63939, NSC315537, ZINC05641946, AKOS015904106, NSC-315537, RTR-007138, 2',7'-dibromo-1,1-dioxospiro[2,1, 5',5''-Dibromopyrogallolsulfonephthalein, AK-60857, alpha-(5-Bromo-2,3-dihydroxy-4-oxo-2,5-cyclohexadienylidene)-alpha-(5-bromo-2,3,4-trihydroxyphenyl)toluenesulphonic acid, 5',5''-Dibromopyro-gallolsulfonephthalein, 5 ,5 -Dibromopyro- gallolsulfonephthalein, AX8118855, FT-0623261, ST24038314, 574B439, A811041, I14-18384, Bromopyrogallol Red, indicator grade, Dye content 70 %, 2',7'-dibromo-1,1-dioxospiro[2,1$l^{6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol, Spiro[3H-2,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide, Spiro[3H-2,9'-xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide, 2',7'-bis(bromanyl)-1,1-bis(oxidanylidene)spiro[2,1$l^{6}-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-1,1-dioxospiro[2,1$l^{6}-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-3',4',5',6'-tetrahydroxyspiro[2,1$l^{6}-benzoxathiole-3,9'-xanthene]-1,1-dione, Bromopyrogallol Red AR 1gm, Dibromopyrogallolsulfonphthaleine, C19-H10-Br2-O8-S, CID85495, AR-1L5472, 1689-64-1,

Complexity	756
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	557.844g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	558.149g/mol
Monoisotopic Mass	555.846g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	142A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number