3,4-Dihydroxybenzonitrile
Synonym(s):Protocatechuonitrile
- CAS NO.：17345-61-8
- Empirical Formula: C7H5NO2
- Molecular Weight: 135.12
- MDL number: MFCD00016436
- EINECS: 241-367-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-03 17:07:09
What is 3,4-Dihydroxybenzonitrile?
Chemical properties
Off-white powder
General Description
3,4-Dihydroxybenzonitrile can be prepared from 4-hydroxy-3-methoxybenzonitrile. It can also be synthesized by reacting 3,4-dimethoxybenzonitrile, lithium diisopropylamide (LDA) and 1,3-dimethyl-2-imidazolidinone (DMEU).
Properties of 3,4-Dihydroxybenzonitrile
| Melting point: | 155-159 °C (lit.) |
| Boiling point: | 334.8±32.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |
| vapor pressure | 0Pa at 20℃ |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 7.67±0.18(Predicted) |
| color | White to Almost white |
| Water Solubility | insoluble |
| BRN | 2082204 |
| InChI | InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H |
| CAS DataBase Reference | 17345-61-8(CAS DataBase Reference) |
Safety information for 3,4-Dihydroxybenzonitrile
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 3,4-Dihydroxybenzonitrile
| InChIKey | NUWHYWYSMAPBHK-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(O)C(O)=C1 |
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