3279-07-0

Name 4-tert-Butyl-2-nitrophenol
CAS 3279-07-0
EINECS(EC#) 221-914-8
Molecular Formula C10H13NO3
MDL Number MFCD00191888
Molecular Weight 195.22
MOL File 3279-07-0.mol
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Chemical Properties

Melting point  27-29 °C(lit.)
Boiling point  97 °C1 mm Hg(lit.)
density  1.12 g/mL at 25 °C(lit.)
refractive index  1.5500-1.5530
Fp  >230 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
form  Yellow to Dark Yellow Oil to Semi-Solid
pka 7.37±0.14(Predicted)
color  Orange to Brown
Stability: Hygroscopic
InChI 1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3
InChIKey IHGNADPMUSNTJW-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc(O)c(c1)[N+]([O-])=O
CAS DataBase Reference 3279-07-0(CAS DataBase Reference)
NIST Chemistry Reference 4-Tert-butyl-2-nitrophenol(3279-07-0)
EPA Substance Registry System Phenol, 4-(1,1-dimethylethyl)-2-nitro- (3279-07-0)

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 .
S36:Wear suitable protective clothing .
WGK Germany  3
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29089990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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