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3,4-Dihydroxybenzonitrile

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3,4-Dihydroxybenzonitrile Basic information

Product Name:
3,4-Dihydroxybenzonitrile
Synonyms:
  • 4-CYANO-1,2-DIHYDROXYBENZENE
  • 3,4-DIHYDROXYBENZONITRILE
  • AKOS B004053
  • BENZONITRILE, 3,4-DIHYDROXY-
  • PROTOCATECHUONITRILE
  • TIMTEC-BB SBB008582
  • 3,4-Dihydroxybenzonitrile, 98+%
  • Protocatachuonitrile
CAS:
17345-61-8
MF:
C7H5NO2
MW:
135.12
EINECS:
241-367-9
Product Categories:
  • Thiophenes ,Thiazolines/Thiazolidines
  • Aromatic Nitriles
  • Nitrile
  • Nitriles
  • API intermediates
Mol File:
17345-61-8.mol
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3,4-Dihydroxybenzonitrile Chemical Properties

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
InChIKey
NUWHYWYSMAPBHK-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(O)C(O)=C1
LogP
1.3 at 20℃
CAS DataBase Reference
17345-61-8(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22-36/37/38
Safety Statements 
36/37-36/37/39-26-22
RIDADR 
UN3439
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090

MSDS

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3,4-Dihydroxybenzonitrile Usage And Synthesis

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).

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