AG000FJR

115-39-9 | 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol]

AG000FJR

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CAS Number	115-39-9
Catalog Number	AG000FJR(AGN-PC-0P7KUJ)
Chemical Name	4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol]
IUPAC Name	2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
InChI	InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChI Key	UDSAIICHUKSCKT-UHFFFAOYSA-N
MDL Number	MFCD00005875
Molecular Formula	C19H10Br4O5S
Molecular Weight	669.9607
NSC Number	7818
SMILES	O=S1(OC(C2=C1C=CC=C2)(C2=CC(=C(C(=C2)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br)=O
UNII	0R2969YC90
Synonyms	Blue, Bromophenol, Blue, Bromphenol, Blue, Tetrabromophenol, Bromophenol Blue, Bromphenol Blue, Tetrabromophenol Blue, Bromophenol blue, 115-39-9, BROMPHENOL BLUE, Albutest, Tetrabromphenol Blue, 3,3',5,5'-Tetrabromophenolsulfonphthalein, MFCD00005875, Bromophenol Blue (BPB), 3',3'',5',5''-Tetrabromophenolsulfonephthalein, CCRIS 5487, UNII-0R2969YC90, NSC 7818, EINECS 204-086-2, 3',3'',5',5''-Tetrabromophenolsulfophthalein, BRN 0061698, Bromphenol Blue Sultone Form, AI3-52697, Bromophenol Blue, ACS reagent, CHEBI:59424, NSC7818, UDSAIICHUKSCKT-UHFFFAOYSA-N, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, 0R2969YC90, Bromophenol Blue, pure, indicator, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophenol), Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide, Bromophenol Blue, pure, 0.1% in water, 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol, Brophenol Blue, HSDB 7728, AC1L1QMZ, Bromophenol blue indicator, AC1Q25RA, DSSTox_CID_21682, DSSTox_RID_79816, DSSTox_GSID_41682, SCHEMBL19631, Tetrabromophenolsulfonphthalein, 5-19-03-00458 (Beilstein Handbook Reference), bromophenol blue, sultone form, CHEMBL2103765, DTXSID6041682, BDBM85044, BIB1005, ZX-AFC000451, aa.OA paragraph sign>>CEaAUo yen, Bromophenol Blue, ACS reagent, EP, CAS_8272, NSC-7818, NSC_8272, ZINC4215094, Bromophenol Blue, JIS special grade, Tox21_302080, GT2874, STL453501, AKOS000813838, 3,5,5'-Tetrabromophenolsulfonphthalein, MCULE-6155731861, NCGC00255409-01, AC-12376, AN-43193, CAS-115-39-9, CAS_115-39-9, CC-25240, SC-78890, AB1002107, LS-104004, 3',5',5''-Tetrabromophenolsulfonephthalein, B0118, B0631, B7774, FT-0614001, ST51039871, 3',3",5',5"-Tetrabromophenolsulfonphthalein, A-8969, 3',3'',5',5''-Tetrabromophenolsulfonphthalein, 3,3',5,5'-Tetrabromphenolsulfonphthalein, BPB, A803432, C-30435, 3',3'',5',5''-Tetrabromophenol- sulfonephthalein, J-610052, I14-17902, 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)benzo[c]1,2-oxathiolene-1,1-dione, 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-phenol], Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide, 2-[Bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl]benzenesulfonic acid gamma-sultone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide, 4,4'-(3H-2,1-Benzoxathiol-3-ylidene) bis-[2,6-dibromophenol] S,S-Dioxide, 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol, 3 inverted exclamation marka,3 inverted exclamation marka inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka inverted exclamation marka-EAaa.O>>Co poundI feminine, 38387-92-7, 4-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)phenol, Bromphenol Blue Sultone Form; 3 inverted exclamation marka,3 inverted exclamation marka inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka inverted exclamation marka-Tetrabromophenolsulfonephthalein, Tetrabromophenol blue, Bromophenol-blue, Tetrabromophenolsulfophthalein, C19H10Br4O5S, Bromophenol Blue, ACS 1g, Bromophenol Blue sodium salt, BROMOPHENOL BLUE, ACS, CID8272, CRAON 17-510, C19-H10-Br4-O5-S, AR-1I0807, Bromophenol Blue Indicator AR/ACS 5gm, BROMOPHENOL BLUE ACS GRADE 100G, Bromophenol Blue TS acc. to USP 125ml, M122, Bromophenol Blue, indicator - 100G 100g, B0117, Bromophenol blue (<lt/> 0.1%) in aqueous solution, 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol] S,S-dioxide, Fenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxatiol-3-iliden) bis [2,6-dibromo-, Phenol, 4,4 -(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol- 3-ylidene)bis[2,6-dibromo-, S,S-dioxide, 62625-28-9, 64037-58-7, BPB,

Complexity	662
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	669.694g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	669.96g/mol
Monoisotopic Mass	665.698g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H335
Packing Group
Precautionary statements	P201-P261-P280-P308+P313
UN Code	\N

Certificate of Analysis

Lot Number