1139-52-2

Name 4-Bromo-2,6-di-tert-butylphenol
CAS 1139-52-2
EINECS(EC#) 214-521-8
Molecular Formula C14H21BrO
MDL Number MFCD00051598
Molecular Weight 285.22
MOL File 1139-52-2.mol
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Chemical Properties

Appearance yellow to brown crystals
Melting point  78-83 °C (dec.)(lit.)
Boiling point  128 °C / 4mmHg
density  1.2457 (rough estimate)
refractive index  1.5130 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 11.23±0.40(Predicted)
color  White to Orange to Green
BRN  2051052
InChI 1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey SSQQUEKFNSJLKX-UHFFFAOYSA-N
SMILES CC(C)(C)c1cc(Br)cc(c1O)C(C)(C)C
CAS DataBase Reference 1139-52-2(CAS DataBase Reference)

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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HS Code  29081990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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