4-hydroxy-3,5-dimethyl-benzenecarbonitrile

Product Name: 4-hydroxy-3,5-dimethyl-benzenecarbonitrile
CAS No.: 4198-90-7
Chemical Name: 4-hydroxy-3,5-dimethyl-benzenecarbonitrile
Synonyms: 4-HYDROXY-3,5-DIMETHYLBENZONITRILE;3,5-DIMETHYL-4-HYDROXYBENZONITRILE;TIMTEC-BB SBB005819;4-CYANO-2,6-DIMETHYLPHENOL;2,6-DIMETHYL-4-CYANOPHENOL;4-CYANO-2,6-DIMETHYLPHENOLE;3,5-DiMethyl-4-hydroxyben...;4-Hydroxy-3,5-Dimethylbenzonit;3,5 Dimethyl 4 Hydrobenzonitrile;3,5-dimethyl-4-hydroxy-benzonitril
CBNumber: CB1151790
Molecular Formula: C9H9NO
Formula Weight: 147.17
MOL File: 4198-90-7.mol

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4-hydroxy-3,5-dimethyl-benzenecarbonitrile Property

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℃
InChI: InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
InChIKey: WFYGXOWFEIOHCZ-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(C)=C(O)C(C)=C1
LogP: 1.6 at 20℃
CAS DataBase Reference: 4198-90-7(CAS DataBase Reference)

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Safety

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
Toxicity: mouse,LD50,intraperitoneal,650mg/kg (650mg/kg),Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H300Fatal if swallowed

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 675385
Product name: 3,5-Dimethyl-4-hydroxybenzonitrile
Purity: 97%
Packaging: 1g
Price: $74
Updated: 2023/06/20

TCI Chemical

Product number: D2790
Product name: 4-Hydroxy-3,5-dimethylbenzonitrile
Purity: >95.0%(GC)
Packaging: 1g
Price: $18
Updated: 2025/07/31

TCI Chemical

Product number: D2790
Product name: 4-Hydroxy-3,5-dimethylbenzonitrile
Purity: >95.0%(GC)
Packaging: 5g
Price: $74
Updated: 2025/07/31

TRC

Product number: D473480
Product name: 3,5-Dimethyl-4-hydroxybenzonitrile
Packaging: 1g
Price: $50
Updated: 2021/12/16

AK Scientific

Product number: S103
Product name: 3,5-Dimethyl-4-hydroxybenzonitrile
Packaging: 5g
Price: $13
Updated: 2021/12/16

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4-hydroxy-3,5-dimethyl-benzenecarbonitrile Chemical Properties,Usage,Production

Chemical Properties

White to beige crystalline powder

Uses

Intermediate in the preparation of HIV replication inhibitors.

Definition

ChEBI: 4-Hydroxy-3,5-dimethylbenzonitrile is a hydroxytoluene.

Flammability and Explosibility

Not classified

Synthesis

2374-05-2

109-77-3

4198-90-7

GENERAL STEPS: Under nitrogen protection, 4-bromo-2,6-dimethylphenol (0.250 mmol), malononitrile (0.500 mmol), palladium catalyst (0.005 mmol), CuI (0.125 mmol), 1,10-phenanthroline (0.063 mmol), t-BuONa (0.500 mmol) and KF ( 0.500 mmol) were dissolved in DMF or NMP (1 mL). The reaction mixture was stirred at 130 °C for 24 hours. After the reaction was completed, the reaction mixture was diluted with EtOAc (4.0 mL), filtered through the diatomite layer and the diatomite layer was washed with EtOAc. The filtrate and washings were combined and concentrated under reduced pressure to remove the solvent to give the crude product. The reaction conversion was determined by GC analysis. The crude product was purified by silica gel column chromatography to give pure 3,5-dimethyl-4-hydroxybenzonitrile.

References

[1] Synlett, 2014, vol. 25, # 4, p. 547 - 550

4-hydroxy-3,5-dimethyl-benzenecarbonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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4-hydroxy-3,5-dimethyl-benzenecarbonitrile Suppliers

Americas 1 Belgium 2 Canada 1 China 231 Europe 3 Germany 2 India 15 Japan 1 Slovakia 1 Switzerland 1 United Kingdom 8 United States 24 USA 1 Global 291

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View Lastest Price from 4-hydroxy-3,5-dimethyl-benzenecarbonitrile manufacturers

Shenzhen Nexcon Pharmatechs Ltd.

Product: 4-hydroxy-3,5-dimethyl-benzenecarbonitrile 4198-90-7
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 2000
Release date: 2025-09-25

Henan Aochuang Chemical Co.,Ltd.

Product: 4-hydroxy-3,5-dimethyl-benzenecarbonitrile 4198-90-7
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-27

Shaanxi Dideu Medichem Co. Ltd

Product: 3,5-Dimethyl-4-hydroxybenzonitrile 4198-90-7
Price: US $1.00-45.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200000KG
Release date: 2024-08-01

4198-90-7, 4-hydroxy-3,5-dimethyl-benzenecarbonitrileRelated Search:

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4198-90-7

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Nitrogen Compounds

Organic Building Blocks

Cyanides/Nitriles

ARYL ALCOHOL

Building Blocks

C8 to C9

Building Blocks

C8 to C9

Chemical Synthesis

Cyanides/Nitriles

Nitrogen Compounds

Organic Building Blocks

Aroamtics

Intermediates & Fine Chemicals

Pharmaceuticals

Aromatic Nitriles