4-hydroxy-3,5-dimethyl-benzenecarbonitrile
Synonym(s):4-Cyano-2,6-dimethylphenol
- CAS NO.：4198-90-7
- Empirical Formula: C9H9NO
- Molecular Weight: 147.17
- MDL number: MFCD00221716
- EINECS: 452-810-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-01 17:24:36
What is 4-hydroxy-3,5-dimethyl-benzenecarbonitrile?
Chemical properties
White to beige crystalline powder
The Uses of 4-hydroxy-3,5-dimethyl-benzenecarbonitrile
Intermediate in the preparation of HIV replication inhibitors.
Definition
ChEBI: 4-Hydroxy-3,5-dimethylbenzonitrile is a hydroxytoluene.
Flammability and Explosibility
Not classified
Properties of 4-hydroxy-3,5-dimethyl-benzenecarbonitrile
| 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℃ |
| CAS DataBase Reference | 4198-90-7(CAS DataBase Reference) |
Safety information for 4-hydroxy-3,5-dimethyl-benzenecarbonitrile
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 4-hydroxy-3,5-dimethyl-benzenecarbonitrile
| InChIKey | WFYGXOWFEIOHCZ-UHFFFAOYSA-N |
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