AG00ILHF

76-59-5 | Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-

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CAS Number	76-59-5
Catalog Number	AG00ILHF(AGN-PC-0UA0PL)
Chemical Name	Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-
EC Number	200-971-2
IUPAC Name	2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
InChI	InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
InChI Key	NUHCTOLBWMJMLX-UHFFFAOYSA-N
MDL Number	MFCD00005872
Molecular Formula	C27H28Br2O5S
Molecular Weight	624.3812
NSC Number	7819
SMILES	O=S1(OC(C3=CC(C)=C(O)C(Br)=C3C(C)C)(C4=CC(C)=C(O)C(Br)=C4C(C)C)C2=C1C=CC=C2)=O
UNII	VGU4LM0H96
Synonyms	Blue, Bromothymol, Blue, Bromthymol, Bromothymol Blue, Bromthymol Blue, Dibromothymolsulfonphthalein, Bromothymol blue, BROMTHYMOL BLUE, 76-59-5, Dibromothymolsulfophthalein, 3,3'-Dibromothymolsulfonphthalein, UNII-VGU4LM0H96, NSC 7819, EINECS 200-971-2, BRN 0373934, VGU4LM0H96, Bromothymol Blue, ACS reagent, CHEBI:86155, NSC7819, NUHCTOLBWMJMLX-UHFFFAOYSA-N, MFCD00005872, Bromothymol Blue, pure, indicator, 2-bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-isopropyl-3-methyl-phenol, 2-bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-isopropyl-3-methylphenol, 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)phenol) S,S-dioxide, Bromothymol Blue solution, pH 6.0-7.6, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)-, S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, Dibromothymolsulfonphthalein, Bromthymolblau, C27H28Br2O5S, Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide, Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide, 3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(methylethyl)phenyl]benzo[c]1,2-oxathiole ne-1,1-dione, AC1Q1OGA, AC1L1MK3, AC1Q25HU, bromothymol sulfone phthalein, SCHEMBL63937, 5-19-03-00461 (Beilstein Handbook Reference), CHEMBL3392578, DTXSID3058799, Bromothymol blue indicator ph.eur, 3',3'-Dibromothymolsulfonphthalein, 3, 3'-Dibromothymolsulfonphthalein, Bromothymol Blue, pkg of 200 mL, HY-D0012, NSC-7819, ZINC3860915, 3, 3"-Dibromothymolsulfonephthalein, Bromothymol Blue, JIS special grade, SBB057766, STL280457, AKOS000813837, 3',3''-Dibromothymolsulfone-phthalein, CS-7547, MCULE-2437931903, 3',3''-Dibromothymolsulfone- phthalein, NCGC00187594-01, AC-12375, AN-23900, BP-13280, CC-25244, LS-104003, B0113, B0657, B0658, ST51006971, A-8853, AE-641/32252005, Bromothymol Blue, ACS reagent, Dye content 95 %, C-30434, J-610060, I14-18840, I14-19682, Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-, S,S-dioxide, Thymol,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide, 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1, Thymol, 6,6'-(3H-2, {1-benzoxathiol-3-ylidene)bis[2-bromo-,} S,S-dioxide, Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide (8CI), 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-3-methyl-6-propan-2-ylphenol, 3,3-bis(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-2,1lambda-benzoxathiole-1,1(3H)-dione, 3,3-Bis(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide, 3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda(6)-benzoxathiole-1,1(3H)-dione, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[2-bromo-3-methyl-6-(propan-2-yl)phenol], 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)phenol) S,S-dioxide, Phenol, 4,4'-(3H-2, {1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-,} S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, Blue, Bromthymol, Blue, Bromothymol, Bromothymol Blue, ACS 5g, CID6450, C27-H28-Br2-O5-S, AR-1I0809, Bromothymol Blue Indicator Papers 10books, Bromothymol Blue TS acc. to USP 125ml, M124, D001979, Bromothymol Blue, indicator, ACS reagent - 100G 100g, Bromothymol Blue Indicator Solution (0.04% Soln.) 125ml, 34722-90-2, 53184-86-4, BTB, Fenol, 4,4'-(1,1-dioxido-3h-2,1-benzoxatiol-3-iliden) bis [2-bromo-3-metil-6-(1-metiletil)-, Phenol, 4,4'-(3H-2,1-benzoxathiol- 3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl) -, S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl))-, S,S-dioxide,

Complexity	818
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	624g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	624.384g/mol
Monoisotopic Mass	622.002g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number