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| | m-(1-Cyanoethyl)benzoic acid Basic information |
| | m-(1-Cyanoethyl)benzoic acid Chemical Properties |
| 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 | | InChI | InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13) | | InChIKey | IRYIYPWRXROPSX-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=CC(C(C#N)C)=C1 | | CAS DataBase Reference | 5537-71-3(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 22-41-43 | | Safety Statements | 26-36/37/39-36/37/38 | | WGK Germany | 3 | | HS Code | 2926907090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1 |
| | m-(1-Cyanoethyl)benzoic acid Usage And Synthesis |
| Uses | 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. | | Uses | 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. |
| | m-(1-Cyanoethyl)benzoic acid Preparation Products And Raw materials |
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