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4198-90-7

Name 3,5-Dimethyl-4-hydroxybenzonitrile
CAS 4198-90-7
EINECS(EC#) 452-810-2
Molecular Formula C9H9NO
MDL Number MFCD00221716
Molecular Weight 147.17
MOL File 4198-90-7.mol
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Chemical Properties

Appearance White to beige crystalline powder
Melting point  123-127 °C
Boiling point  267.28°C (rough estimate)
density  1.1135 (rough estimate)
vapor pressure  0.005Pa at 25℃
refractive index  1.5290 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  soluble in Methanol
form  Crystalline Powder
pka pK1:8.27 (25°C)
color  White to beige
Water Solubility  320mg/L at 20℃
InChIKey WFYGXOWFEIOHCZ-UHFFFAOYSA-N
LogP 1.6 at 20℃
CAS DataBase Reference 4198-90-7(CAS DataBase Reference)

Safety Data

Hazard Codes  T,Xn,Xi
Risk Statements 
R25:Toxic if swallowed.
R36:Irritating to the eyes.
R32:Contact with acids liberates very toxic gas.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  DI4359000
Hazard Note  Toxic
HazardClass  IRRITANT
HS Code  29269095
Toxicity
mouse,LD50,intraperitoneal,650mg/kg (650mg/kg),Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.

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