m-(1-Cyanoethyl)benzoic acid
- CAS NO.：5537-71-3
- Empirical Formula: C10H9NO2
- Molecular Weight: 175.18
- MDL number: MFCD00002520
- EINECS: 226-897-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-16 15:11:44
What is m-(1-Cyanoethyl)benzoic acid?
The Uses of m-(1-Cyanoethyl)benzoic acid
3-(1-Cyanoethyl)benzoic Acid is a intermediate for the synthetic preparation of various pharmaceutical compounds. 3-(1-Cyanoethyl)benzoic Acid was used in studies examining the enantioselectivity of n itrile hydratases.
The Uses of m-(1-Cyanoethyl)benzoic acid
3-(1-Cyanoethyl)benzoic acid was used in screening of cobalt containing nitrile hydratases for their enantioselectivity towards wide range of chiral nitriles.
Definition
ChEBI: Benzoic acid meta-substituted with a 1-cyanoethyl group.
Properties of m-(1-Cyanoethyl)benzoic acid
| Melting point: | 145-148 °C (lit.) |
| Boiling point: | 355.8±25.0 °C(Predicted) |
| Density | 1.204±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.96±0.10(Predicted) |
| color | White to Off-White |
| CAS DataBase Reference | 5537-71-3(CAS DataBase Reference) |
Safety information for m-(1-Cyanoethyl)benzoic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
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 m-(1-Cyanoethyl)benzoic acid
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