728-40-5

Name DI-TERTBUTYLNITROPHENOL
CAS 728-40-5
EINECS(EC#) 616-586-1
Molecular Formula C14H21NO3
Molecular Weight 251.32
MOL File 728-40-5.mol

Chemical Properties

Melting point  154-156℃
Boiling point  307℃
density  1.078
refractive index  1.5774 (estimate)
Fp  118℃
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
pka 7.17±0.40(Predicted)
color  Light Yellow to Yellow
InChI InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey FCGKUUOTWLWJHE-UHFFFAOYSA-N
SMILES C1(O)=C(C(C)(C)C)C=C([N+]([O-])=O)C=C1C(C)(C)C
EPA Substance Registry System Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (728-40-5)

Safety Data

RIDADR  2811
WGK Germany  WGK 3
HazardClass  6.1(b)
PackingGroup  III
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2

Hazard Information

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