2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene Structure

2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene

Chemical Properties

Melting point 199-201 °C(lit.)
Boiling point 531.2±45.0 °C(Predicted)
Density  1.26
refractive index  1.6360 (estimate)
Flash point >350°C
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  toluene: soluble50mg/mL
pka 3.03±0.10(Predicted)
form  powder
color  Pale Green to Yellow
Appearance Pale green to yellow solid
Water Solubility  Soluble in acetone and toluene. Insoluble in water.
λmax 373nm(EtOH)(lit.)
ε(extinction coefficient) ≥47000 at 372-374nm in dioxane
Merck  14,1014
BRN  631803
Stability Stable. Incompatible with strong oxidizing agents.
Major Application diagnostic assay manufacturing
hematology
histology
Cosmetics Ingredients Functions SKIN CONDITIONING - MISCELLANEOUS
InChI 1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
InChIKey AIXZBGVLNVRQSS-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc2oc(nc2c1)-c3ccc(s3)-c4nc5cc(ccc5o4)C(C)(C)C
LogP 8.6 at 25℃
Indirect Additives used in Food Contact Substances 2,2'-(2,5-THIOPHENEDIYL)-BIS (5-TERT-BUTYLBENZOXAZOLE)
FDA 21 CFR 175.105; 175.125; 178.3297
CAS DataBase Reference 7128-64-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII W7UR9129GP
NIST Chemistry Reference Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)-(7128-64-5)
EPA Substance Registry System 2,2'-(2,5-Thiophenediyl)bis[5-tert-butylbenzoxazole] (7128-64-5)
UNSPSC Code 12171500
NACRES NA.47

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P261-P271-P280
Risk Statements  36/37/38
Safety Statements  24/25
WGK Germany  1
RTECS  DM4888332
TSCA  TSCA listed
HS Code  29349990
Storage Class 11 - Combustible Solids
Toxicity LD50 orl-rat: >10 g/kg MVCRB3 2,193,1973
NFPA 704:
0
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