Methyl 4-cyanobenzoate
Methyl 4-cyanobenzoate structure
|
Common Name | Methyl 4-cyanobenzoate | ||
|---|---|---|---|---|
| CAS Number | 1129-35-7 | Molecular Weight | 161.157 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 274.9±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H7NO2 | Melting Point | 65-67 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 131.2±9.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 4-cyanobenzoate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 274.9±0.0 °C at 760 mmHg |
| Melting Point | 65-67 °C(lit.) |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.157 |
| Flash Point | 131.2±9.4 °C |
| Exact Mass | 161.047684 |
| PSA | 50.09000 |
| LogP | 1.85 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.535 |
| InChIKey | KKZMIDYKRKGJHG-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(C#N)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S22-S24/25 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:53148-13-3![methyl 4-[(E)-(hydroxyimino)methyl]benzoate Structure](https://image.chemsrc.com/caspic/386/168699-41-0.png)
CAS#:168699-41-0
CAS#:75-91-2
CAS#:105-07-7
CAS#:681-84-5
CAS#:619-42-1
CAS#:557-21-1
CAS#:140-29-4
CAS#:99768-12-4
CAS#:1126-46-1
CAS#:1006037-03-1
CAS#:49744-93-6
CAS#:43038-36-4
CAS#:340736-76-7
CAS#:330942-05-7
CAS#:95124-68-8
CAS#:39895-56-2
CAS#:196301-94-7
CAS#:26537-19-9
CAS#:22583-66-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 4-cyanobenzoate |
| Benzoic acid, 4-cyano-, methyl ester |
| 4-Cyanobenzoic Acid Methyl Ester |
| 4-(methoxycarbonyl)benzonitrile |
| 4-NC-C6H4-CO2Me |
| Benzoic acid, p-cyano-, methyl ester |
| 4-methoxylcarbonylbenzonitrile |
| Benzoic acid,p-cyano-,methyl ester |
| MFCD00001823 |
| methyl p-cyanobenzoate |
| Benzoic acid,4-cyano-,methyl ester |
| EINECS 214-443-4 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of Methyl 4-cyanobenzoate? |
| A: The English name of Methyl 4-cyanobenzoate is Methyl 4-cyanobenzoate. |
| Q: What English synonyms does Methyl 4-cyanobenzoate have? |
| A: English synonyms of Methyl 4-cyanobenzoate: Methyl 4-cyanobenzoate, Benzoic acid, 4-cyano-, methyl ester, 4-Cyanobenzoic Acid Methyl Ester, 4-(methoxycarbonyl)benzonitrile, 4-NC-C6H4-CO2Me, Benzoic acid, p-cyano-, methyl ester, 4-methoxylcarbonylbenzonitrile, Benzoic acid,p-cyano-,methyl ester, MFCD00001823, methyl p-cyanobenzoate, Benzoic acid,4-cyano-,methyl ester, EINECS 214-443-4. |
| Q: What is the CAS number of Methyl 4-cyanobenzoate? |
| A: CAS number of Methyl 4-cyanobenzoate is 1129-35-7. |
| Q: What are the downstream products of Methyl 4-cyanobenzoate? |
| A: Related downstream products(CAS) of Methyl 4-cyanobenzoate: 1006037-03-1;49744-93-6;43038-36-4;340736-76-7;330942-05-7;95124-68-8;39895-56-2;196301-94-7;26537-19-9;22583-66-0. |
| Q: What is the LogP of Methyl 4-cyanobenzoate? |
| A: LogP of Methyl 4-cyanobenzoate is 1.85. |
| Q: What is the InChIKey of Methyl 4-cyanobenzoate? |
| A: InChIKey of Methyl 4-cyanobenzoate is KKZMIDYKRKGJHG-UHFFFAOYSA-N. |
| Q: What are the upstream materials of Methyl 4-cyanobenzoate? |
| A: Related upstream materials(CAS) of Methyl 4-cyanobenzoate: 53148-13-3;168699-41-0;75-91-2;105-07-7;681-84-5;619-42-1;557-21-1;140-29-4;99768-12-4;1126-46-1. |
| Q: What is the boiling point of Methyl 4-cyanobenzoate? |
| A: Boiling point of Methyl 4-cyanobenzoate is 274.9±0.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of Methyl 4-cyanobenzoate? |
| A: Polar surface area (PSA) of Methyl 4-cyanobenzoate is 50.09000. |
| Q: What is the melting point of Methyl 4-cyanobenzoate? |
| A: Melting point of Methyl 4-cyanobenzoate is 65-67 °C(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |