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HomeProduct name list3,4-Dihydroxybenzonitrile

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
3,4-Dihydroxybenzonitrile Structural

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)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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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