4-hydroxy-3,5-dimethyl-benzenecarbonitrile

4-hydroxy-3,5-dimethyl-benzenecarbonitrile Basic information
Product Name:4-hydroxy-3,5-dimethyl-benzenecarbonitrile
Synonyms:3,5-DIMETHYL-4-HYDROXYBENZONITRILE;4-HYDROXY-3,5-DIMETHYLBENZONITRILE;4-CYANO-2,6-DIMETHYLPHENOL;4-CYANO-2,6-DIMETHYLPHENOLE;2,6-DIMETHYL-4-CYANOPHENOL;TIMTEC-BB SBB005819;3,5-dimethyl-4-hydroxy-benzonitril;4-Hydroxy-3,5-Dimethylbenzonit
CAS:4198-90-7
MF:C9H9NO
MW:147.17
EINECS:452-810-2
Product Categories:Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks;Aromatic Nitriles;Aroamtics;Intermediates & Fine Chemicals;Pharmaceuticals
Mol File:4198-90-7.mol
4-hydroxy-3,5-dimethyl-benzenecarbonitrile Structure
4-hydroxy-3,5-dimethyl-benzenecarbonitrile Chemical Properties
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
pkapK1:8.27 (25°C)
color White to beige
Water Solubility 320mg/L at 20℃
InChIKeyWFYGXOWFEIOHCZ-UHFFFAOYSA-N
LogP1.6 at 20℃
CAS DataBase Reference4198-90-7(CAS DataBase Reference)
Safety Information
Hazard Codes T,Xn,Xi
Risk Statements 25-36-32-20/21/22-36/37/38
Safety Statements 26-45-36/37
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS DI4359000
Hazard Note Toxic
HazardClass IRRITANT
HS Code 29269095
Toxicitymouse,LD50,intraperitoneal,650mg/kg (650mg/kg),Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.
MSDS Information
ProviderLanguage
ACROS English
4-hydroxy-3,5-dimethyl-benzenecarbonitrile Usage And Synthesis
Chemical PropertiesWhite to beige crystalline powder
UsesIntermediate in the preparation of HIV replication inhibitors.
DefinitionChEBI: 4-Hydroxy-3,5-dimethylbenzonitrile is a hydroxytoluene.
Flammability and ExplosibilityNotclassified
4-hydroxy-3,5-dimethyl-benzenecarbonitrile Preparation Products And Raw materials
Preparation Products4-(aminomethyl)-2,6-dimethylphenol hydrochloride-->Etravirine-->Win 61834
3,5-DIMETHYL-4-METHOXYBENZONITRILE Dacthal 4-hydroxy-3,5-dimethyl-benzenecarbonitrile ETHYL 4-AMINO-5-CYANO-2-HYDROXY-3-METHYLBENZOATE AURORA KA-6267 AURORA KA-6263 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE AURORA KA-6271 ETHANE AURORA KA-6238 AURORA KA-6182 AURORA KA-6265 AURORA KA-6266 Dimethyl ether Dimethyl carbonate CHLOROPHOSPHONAZO III 2-Cyanophenol Dimethyl sulfate

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