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3,4-Dihydroxybenzonitrile

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
3,4-Dihydroxybenzonitrile Structure
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
pka7.67±0.18(Predicted)
color White to Almost white
Water Solubility insoluble
BRN 2082204
InChIInChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H
InChIKeyNUWHYWYSMAPBHK-UHFFFAOYSA-N
SMILESC(#N)C1=CC=C(O)C(O)=C1
LogP1.3 at 20℃
CAS DataBase Reference17345-61-8(CAS DataBase Reference)
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 Information
ProviderLanguage
3,4-Dihydroxybenzonitrile English
ACROS English
SigmaAldrich English
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3,4-Dihydroxybenzonitrile Usage And Synthesis
Chemical PropertiesOff-white powder
General Description3,4-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).
3,4-Dihydroxybenzonitrile Preparation Products And Raw materials
Raw materials2,3-DIMETHOXYBENZONITRILE-->4-Hydroxy-3-methoxybenzonitrile-->Methyl 3,4-dimethoxybenzoate
Preparation Products2,3',4,4',6-Pentahydroxybenzophenone
Methylparaben 2-CHLORO-3,4-DIMETHOXYBENZONITRILE 4-Hydroxybenzoic acid 2,2,3,3-Tetrafluoro-6-nitrilobenzodioxene 4-[5-CHLORO-1-(3-CHLOROPHENYL)-6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL]-N-(2-CYANO-4,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE 4,5-DIMETHOXY-2-FLUOROBENZONITRILE 4,5-DIOCTYLOXY-1,2-BENZENEDICARBONITRILE 2,4-Dihydroxybenzaldehyde 3-(CYCLOPENTYLOXY)-4-METHOXYBENZONITRILE 3,4,5-Trimethoxybenzonitrile 3-AMINO-3-[4-(6-CHLORO-2-PYRIDINYL)PIPERAZINO]-2-CYANO-N-(2-CYANO-4,5-DIMETHOXYPHENYL)-2-PROPENETHIOAMIDE 4-Hydroxybenzaldehyde 3,4-Dihydroxybenzonitrile 4-Cyanophenol Triclosan Benzonitrile 4-Methoxyphenol 2-Cyanophenol
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