Methyl 4-cyanobenzoate
- Product NameMethyl 4-cyanobenzoate
- CAS1129-35-7
- CBNumberCB5280052
- MFC9H7NO2
- MW161.16
- EINECS214-443-4
- MDL NumberMFCD00001823
- MOL File1129-35-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 65-67 °C(lit.) |
| Boiling point | 142-144 °C12 mm Hg(lit.) |
| Density | 1.2480 (rough estimate) |
| refractive index | 1.5050 (estimate) |
| Flash point | 142-144°C/12mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Ethyl Acetate |
| form | Crystalline Powder |
| color | White to off-white |
| Water Solubility | Insoluble in water. Soluble in chloroform and ethyl acetate. |
| BRN | 1866980 |
| InChI | 1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3 |
| InChIKey | KKZMIDYKRKGJHG-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(cc1)C#N |
| CAS DataBase Reference | 1129-35-7(CAS DataBase Reference) |
| FDA UNII | F8FMS7O8XG |
| NIST Chemistry Reference | 4-Cyanobenzoic acid methyl ester(1129-35-7) |
| EPA Substance Registry System | Methyl 4-cyanobenzoate (1129-35-7) |
Safety
| Symbol(GHS) |
 
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332-H301-H311-H315-H319-H332-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501-P301+P310a-P305+P351+P338-P405-P501a | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 22-24/25-60-36/37-26-9 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Harmful | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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