A0792157
3-Cyanobenzoicacidmethylester , ≥99% , 13531-48-1
CAS NO.：13531-48-1
Empirical Formula: C9H7NO2
Molecular Weight: 161.16
MDL number: MFCD00220156
EINECS: 620-003-6
| Pack Size | Price | Stock | Quantity |
| 1g | RMB23.20 | In Stock |
|
| 5g | RMB38.40 | In Stock |
|
| 25g | RMB146.40 | In Stock |
|
| 100g | RMB556.00 | In Stock |
|
| 500g | RMB2754.40 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3 |
| InChIKey | XPBHWSMZTSSEJE-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC(C#N)=C1 |
| LogP | 1.82 |
| 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) |
Description and Uses
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).
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 22-26-36/37/39 |
| RIDADR | UN3439 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| HS Code | 2916399090 |
| REACH Registrations | Active |
| Limited Quantities | 5.0 kg (11 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
