CAS 874-90-8|4-Methoxybenzonitrile
Introduction：Basic information about CAS 874-90-8|4-Methoxybenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Methoxybenzonitrile | ||
|---|---|---|---|
| CAS Number | 874-90-8 | Molecular Weight | 133.147 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 256.5±0.0 °C at 760 mmHg |
| Molecular Formula | C8H7NO | Melting Point | 57-59 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 104.3±13.7 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-Methoxybenzonitrile |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 256.5±0.0 °C at 760 mmHg |
| Melting Point | 57-59 °C(lit.) |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.147 |
| Flash Point | 104.3±13.7 °C |
| Exact Mass | 133.052765 |
| PSA | 33.02000 |
| LogP | 1.87 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.527 |
| InChIKey | XDJAAZYHCCRJOK-UHFFFAOYSA-N |
| SMILES | COc1ccc(C#N)cc1 |
| Water Solubility | soluble |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36/37 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 29269095 |
Customs
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles5
More Articles| Vibrational analysis of substituted benzonitriles. III. Transferability of force constants--the case of some halogeno-, methoxy- and nitro-benzonitriles. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 53A(12) , 2041-8, (1997) A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for 2-chloro, 6-fluorobenzonitrile, s-trichlorobenzonitrile, p- and m-methoxybenzonitriles and m-nitro... | |
| Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 71(3) , 1074-9, (2008) The SERS modelling of o-, m-, and p-methoxybenzonitrile has been performed following the same methodology that in Part I. Optimized structure obtained from DFT calculations in a B3LYP-LANL2DZ level of... | |
| [Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)]. Yakugaku Zasshi 100(6) , 668-71, (1980) |
Synonyms
| 4-Methoxybenzonitrile |
| EINECS 212-871-6 |
| MFCD00001818 |
| Benzonitrile, 4-methoxy- |
