833-50-1

Name 2-Phenylbenzoxazole
CAS 833-50-1
EINECS(EC#) 202-399-9
Molecular Formula C13H9NO
MDL Number MFCD00012183
Molecular Weight 195.22
MOL File 833-50-1.mol
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Chemical Properties

Appearance light yellow-beige crystalline powder
Melting point  102-104 °C(lit.)
Boiling point  331.88°C (rough estimate)
density  1.1266 (rough estimate)
refractive index  1.6060 (estimate)
storage temp.  Store at room temperature
Water Solubility  Insoluble in water
form  powder to crystal
pka 1.15±0.10(Predicted)
color  White to Light yellow to Dark green
λmax 310nm(EtOH)(lit.)
InChI 1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChIKey FIISKTXZUZBTRC-UHFFFAOYSA-N
SMILES c1ccc(cc1)-c2nc3ccccc3o2
CAS DataBase Reference 833-50-1(CAS DataBase Reference)
NIST Chemistry Reference Benzoxazole, 2-phenyl-(833-50-1)
EPA Substance Registry System 833-50-1(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  2
RTECS  DM4865700
TSCA  Yes
HS Code  29349990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

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