AG003KHB

596-03-2 | 4,5-Dibromofluorescein

AG003KHB

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CAS Number	596-03-2
Catalog Number	AG003KHB(AGN-PC-0SSSPU)
Chemical Name	4,5-Dibromofluorescein
EC Number	209-876-0
IUPAC Name	4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI	InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChI Key	ZDTNHRWWURISAA-UHFFFAOYSA-N
MDL Number	MFCD00005042
Molecular Formula	C20H10Br2O5
Molecular Weight	490.0984
SMILES	O=C1OC2(C3=C(OC4=C2C=CC(O)=C4Br)C(Br)=C(O)C=C3)C5=C1C=CC=C5
UNII	5P3H5X9X4Q
Synonyms	4,5-dibromofluorescein, DBF cpd, 4',5'-Dibromofluorescein, 596-03-2, Solvent Red 72, Eosinic acid, C.I. Solvent Red 72, Japan Orange 201, 4,5-Dibromofluorescein, D&C Orange No. 5, 4',5'-Dibromofluororescein, D & C Orange no. 5, Japan Orange No. 201, UNII-5P3H5X9X4Q, C.I. 45370:1, CCRIS 4900, EINECS 209-876-0, MFCD00005042, FLUORESCEIN, 4',5'-DIBROMO-, BRN 0057189, 4',5'-Dibromo-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 5P3H5X9X4Q, Dibromofluorescein, CI 45370:1, 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one, 4',5'-Dibromofluorescein (C.I. 45370:1), 4',5'-Dibromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-, 4',5'-Dibromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, disodium salt, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-, disodium salt, C20H10Br2O5, 4',5'-dibromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, 13,14-dibromo-12,15-dihydroxyspiro[3-hydroisobenzofuran-3,9'-xanthene]-1-one, AC1L1XWR, Japan Orange No. 201, DSSTox_CID_4904, DSSTox_GSID_24904, 5-19-06-00462 (Beilstein Handbook Reference), Acid orange 11 (Salt/Mix), Dibromofluorescein (Salt/Mix), SCHEMBL328742, CHEMBL3561473, DTXSID7024904, Bromo Acid Yellowish (Salt/Mix), ZDTNHRWWURISAA-UHFFFAOYSA-N, ZINC4261875, Tox21_303911, 6532AF, BBL034641, SBB058341, STL426757, 4',5'-Dibromofluorescein (technical), AKOS024306986, MCULE-3992334788, KS-000010U3, NCGC00357271-01, CAS-596-03-2, LS-69340, D1120, FT-0617147, ST50308421, 4',5'-Dibromofluorescein, Dye content 95 %, UNII-D510H7C5BZ component ZDTNHRWWURISAA-UHFFFAOYSA-N, D &C Orange no. 5, UNII-7MF02AWG95, 4/',5/'-Dibromofluorescein, 4,5-dibromo-3,6-fluorandiol, C20-H10-Br2-O5, CID11689, C.I.45370A, CI 45370, C.I. 45370, 4',5'-Dibromofluorescein, 95% - 25G 25g, 4',5'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 4', 5'- dibromo- 3', 6'- dihydroxyspiro[isobenzofuran- 1(3H), 9'- [9H]xanthene]- 3- one, 4', 5'- dibromo- 3', 6'- dihydroxyspiro[isobenzofuran- 1(3H), 9'- [9H]xanthene]- 3- one (CI 45370),

Complexity	585
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	489.887g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	490.103g/mol
Monoisotopic Mass	487.889g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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