| Identification | More | [Name]
3,4-Dihydroxybenzonitrile | [CAS]
17345-61-8 | [Synonyms]
3,4-DIHYDROXYBENZONITRILE
4-CYANO-1,2-DIHYDROXYBENZENE
4-CYANOCATECHOL
4-CYANOPYROCATECHOL
AKOS B004053
BENZONITRILE, 3,4-DIHYDROXY-
PROTOCATECHUONITRILE
TIMTEC-BB SBB008582
Protocatachuonitrile
3,4-DIHYDROXYBENZONITRILE/PROTOCATECHUONITRILE
3,4-Dihydroxybenzonitrile, 98+% | [EINECS(EC#)]
241-367-9 | [Molecular Formula]
C7H5NO2 | [MDL Number]
MFCD00016436 | [Molecular Weight]
135.12 | [MOL File]
17345-61-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-white powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust . | [RIDADR ]
UN3439 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [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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