Bromothymol Blue

About This Item

Molecular Formula	C₂₇H₂₈Br₂O₅S
CAS Number	76-59-5

FC-0125513

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Properties

Chemical Identifiers

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
SMILES	CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C
InChI Key	NUHCTOLBWMJMLX-UHFFFAOYSA-N
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

Physical Properties

Boiling Point	614.3±55.0 °C at 760 mmHg
Melting Point	204 °C
Flash Point	325.3±31.5 °C
Density	1.5±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

325.3±31.5 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.