Methyl 3-cyanobenzoate
- Product NameMethyl 3-cyanobenzoate
- CAS13531-48-1
- CBNumberCB8262602
- MFC9H7NO2
- MW161.16
- EINECS620-003-6
- MDL NumberMFCD00220156
- MOL File13531-48-1.mol
Chemical 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) |
Safety
| Symbol(GHS) |
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| 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 | 2926909090 | |||||||||
| 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) | |||||||||
| NFPA 704: |
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