Bromocresol Purple Structure

Bromocresol Purple

Chemical Properties

Melting point 240 °C (dec.) (lit.)
bulk density 515kg/m3
Density  1.6509 (estimate)
Flash point 36 °C
storage temp.  Store at +5°C to +30°C.
solubility  ethanol: soluble1mg/mL
form  Solid
pka 6.21, 6.3, 6.4(at 25℃)
Boiling point 590.2±50.0 °C(Predicted)
color  Purplish-brown
PH Range 5.2(yellow)-6.8(purple)
PH pH : 5.2~6.8
Water Solubility  practically insoluble
λmax 419nm, 433nm, 591nm
ε(extinction coefficient) ≥22000 at 418-424nm in methanol
Merck  14,1387
BRN  359618
Henry's Law Constant 9.9×1012 mol/(m3Pa) at 25℃, HSDB (2015)
Stability Stable. Incompatible with strong oxidizing agents.
Major Application Waveguides, fuel cells, sensors, sol-gel technology, display device, falsification-proof security paper, paints, detergents, identifying fresh and stale rice, detecting lactic acid bacteria, dental materials, vaginal infection test method
InChI 1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
InChIKey ABIUHPWEYMSGSR-UHFFFAOYSA-N
SMILES Cc1cc(cc(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(Br)c4
CAS DataBase Reference 115-40-2(CAS DataBase Reference)
FDA UNII 201C22C3EC
EPA Substance Registry System Bromcresol Purple (115-40-2)
UNSPSC Code 12171502
NACRES NA.47

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-10-20/21/22
Safety Statements  26-36-37/39-16
RIDADR  UN 1993 3/PG 3
WGK Germany  3
TSCA  TSCA listed
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazardous Substances Data 115-40-2(Hazardous Substances Data)
NFPA 704:
1
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