Methyl 3-cyanobenzoate
- CAS NO.：13531-48-1
- Empirical Formula: C9H7NO2
- Molecular Weight: 161.16
- MDL number: MFCD00220156
- EINECS: 620-003-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-09-06 17:45:48
What is Methyl 3-cyanobenzoate?
Chemical properties
White crystal
The Uses of Methyl 3-cyanobenzoate
3-Cyanobenzoic Acid Methyl Ester, is an intermediate for the synthesis of 3-Carbamoylbenzoic Acid Derivatives as Inhibitors of Human Apurinic/Apyrimidinic Endonuclease 1 (APE1). It can also be used for the preparation of 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid Sodium Salt (F596070).
Definition
ChEBI: Methyl 3-cyanobenzoate is a benzoate ester.
Properties of Methyl 3-cyanobenzoate
| Melting point: | 58 °C |
| Boiling point: | 267.2±23.0 °C(Predicted) |
| Density | 1.18±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| CAS DataBase Reference | 13531-48-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-CN-C6H4-COOCH3(13531-48-1) |
| EPA Substance Registry System | Benzoic acid, 3-cyano-, methyl ester (13531-48-1) |
Safety information for Methyl 3-cyanobenzoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332: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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl 3-cyanobenzoate
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product: Methyl 3-cyanobenzoate
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