76-59-5

Name Bromothymol Blue
CAS 76-59-5
EINECS(EC#) 200-971-2
Molecular Formula C27H28Br2O5S
MDL Number MFCD00005872
Molecular Weight 624.38
MOL File 76-59-5.mol

Chemical Properties

Appearance Pale purple crystalline powder
Melting point  200-202 °C (lit.)
bulk density 450kg/m3
density  1.4668 (estimate)
Fp  38 °C
storage temp.  Store at RT.
solubility  Solubility Sparingly soluble in water, benzene; soluble in ethanol, ether; insoluble in petroleum ether
Boiling point  614.3±55.0 °C(Predicted)
form  Solid
pka 7.0, 7.1(at 25℃)
color  Pink-brown to purple
Odor Characteristic odour
PH pH : 6.0~7.6
PH Range 6(yellow)-7.6(blue)
Stability: Stable. Incompatible with strong oxidizing agents.
Water Solubility  slightly soluble
ε(extinction coefficient) ≥17000 at 419-425nm in methanol
≥8000 at 326-332nm in methanol
≥9000 at 279-285nm in methanol
λmax 420nm, 435nm, 620nm
Merck  14,1445
BRN  373934
Major Application Sol-gel matrix, fuel cells, optical sensors, combustion gas detection system, paints, toys, cleaning products, detergents, textiles, food freshness sensor, identifying fresh and stale rice,wheat, detecting microorganisms, bacterial growth, psychoactive drug, dental materials
Cosmetics Ingredients Functions COLORANT
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
InChIKey NUHCTOLBWMJMLX-UHFFFAOYSA-N
SMILES CC(C)c1cc(c(C)c(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(Br)c4C
LogP 8.600 (est)
CAS DataBase Reference 76-59-5(CAS DataBase Reference)
EPA Substance Registry System 76-59-5(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
Signal word  Danger
Hazard statements  H226-H319-H335+H336-H340-H360-H372-H373
Precautionary statements  P201-P202-P210-P233-P240-P241+P242+P243-P260-P264-P270-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338+P337+P313-P308+P313-P403+P233-P405-P501
Hazard Codes  Xn
Risk Statements 
R10:Flammable.
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  1170
WGK Germany  3
RTECS  SJ450000
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29349990
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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