| Identification | More | [Name]
2-Cyanophenol | [CAS]
611-20-1 | [Synonyms]
2-CYANOPHENOL
2-HYDROXYBENZONITRILE
O-CYANOPHENOL
O-HYDROXYBENZONITRILE
SALICYLIC ACID NITRILE
SALICYLONITRILE
TIMTEC-BB SBB007959
2-hydroxy-benzonitril
Benzonitrile, o-hydroxy-
o-Hydoxybenzonitrile
Salicylnitrile
2-Hydroxybenzonitrile,98%
Benzonitrile, 2-hydroxy-
2-Hydroxybenzonitrile (o-Hydroxybenzonitrile
CYANOPHENOL
2-CYANOPHENOL (2-HYDROXYBENZONITRILE)
O-HYDROXYBENZONITRIL
2-Cyanophenol, Salicylonitrile
Benzene, 1-chloro-3-fluoro-2-(trichloromethyl)- | [EINECS(EC#)]
210-259-3 | [Molecular Formula]
C7H5NO | [MDL Number]
MFCD00002145 | [Molecular Weight]
119.12 | [MOL File]
611-20-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
92-95 °C (lit.) | [Boiling point ]
149 °C/14 mmHg (lit.) | [density ]
1.1052 | [vapor pressure ]
0.17Pa at 25℃ | [refractive index ]
1.5372 | [Fp ]
149°C/14mm | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
6.86(at 25℃) | [color ]
Off-white to brown | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong bases. | [Water Solubility ]
soluble | [BRN ]
1210029 | [Henry's Law Constant]
2.8×101 mol/(m3Pa) at 25℃, Hilal et al. (2008) | [InChI]
1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H | [InChIKey]
CHZCERSEMVWNHL-UHFFFAOYSA-N | [SMILES]
Oc1ccccc1C#N | [LogP]
1.66 at 30℃ | [CAS DataBase Reference]
611-20-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzonitrile, 2-hydroxy-(611-20-1) | [EPA Substance Registry System]
611-20-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H317-H318 | [Precautionary statements ]
P280-P280-P301+P312+P330-P305+P351+P338+P310 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1B |
| Hazard Information | Back Directory | [Description]
Cyanophenol is a vital molecule widely used to synthesize liquid crystal materials, medicines, spices, pesticides, corrosion inhibitors, etc. Cyanophenol is formed by substituting two hydrogen atoms of benzene molecules with hydroxyl and cyano groups, respectively. The cyano and hydroxyl groups are in the ring plane in the stable molecular structure. The hydroxyl group can have two different orientations relative to the cyano group. 2-cyanophenol, one of the Cyanophenol, is an essential ingredient in pesticides, spices, liquid crystal materials, etc. It is an especially critical intermediate for synthesizing methoxyacrylate fungicide mystrostrobin, widely used in agrochemicals, pharmaceutical chemicals, and other industries. The cyano group can strongly attract electrons. Replacing a hydrogen atom of the benzene ring by the cyano group usually increases the ionization energy (IE)[1].
| [Chemical Properties]
2-Cyanophenol(611-20-1) is a white to light yellow crystal powder with a pungent and bitter odor. It is partially soluble in water with a Pka value of 7.17. However, it is unstable when exposed to strong alkalis and oxidants. It is an important intermediate for the synthesis of the fungicide azoxystrobin and the antihypertensive drug Bunirolol. | [Uses]
2-Hydroxybenzonitrile is used as starting reagent during the synthesis of mono-alkoxyphenyloxazoline, furanoside. | [Application]
2-Cyanophenol is used in the synthesis of CDK/GSK-3 inhibitors, for usage as therapeutics in Alzheimer's disease (AD).
| [Definition]
ChEBI: 2-Cyanophenol is a member of benzenes and a nitrile. | [Preparation]
A method for preparing 2-cyanophenol, which comprises the following steps: preparing salicylaldoxime; performing dehydration; and performing hydrolytic-acidification reaction, wherein in the dehydration, anhydride is adopted as a dehydrating agent; and in the hydrolytic-acidification reaction, a hydrolyticreagent is 10 to 30 mass percent alkaline solution, and the temperature of the hydrolytic-acidification reaction is 100 to 150℃. | [Flammability and Explosibility]
Notclassified | [Synthesis]
2-Hydroxybenzonitrile can be synthesized by condensing salicylaldehyde with hydroxylamine hydrochloride to produce salicylaldoxime. Then, the salicylaldoxime is reacted with acetic anhydride followed by hydrolysis to yield 2-Hydroxybenzonitrile.
Process for the preparation of 2-hydroxybenzonitrile | [storage]
Store at 2°C - 8°C, close container well, protect from light. | [References]
[1] Na Li. “Vibrational spectra of 2-cyanophenol cation studied by the mass analyzed threshold ionization technique.” Chemical Physics Letters 792 (2022): Article 139402. |
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