5597-04-6
5597-04-6 structure
- Name: 2-Cyanomethylbenzoic acid methyl ester
- Chemical Name: Methyl 2-(cyanomethyl)benzoate
- CAS Number: 5597-04-6
- Molecular Formula: C10H9NO2
- Molecular Weight: 175.18400
- Create Date: 2018-08-10 01:08:29
- Modify Date: 2025-08-24 19:08:44
| Name | Methyl 2-(cyanomethyl)benzoate |
|---|---|
| Synonyms |
2-cyanomethylbenzoic acid methyl ester
MFCD01631304 |
| Density | 1.141g/cm3 |
|---|---|
| Boiling Point | 133 °C / 1.5mmHg |
| Melting Point | 49°C |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.18400 |
| Flash Point | 149.6ºC |
| Exact Mass | 175.06300 |
| PSA | 50.09000 |
| LogP | 1.53928 |
| Index of Refraction | 1.53 |
| Hazard Codes | T+ |
|---|---|
| Risk Phrases | R23/24/25 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 2811 |
| HS Code | 2926909090 |
|
~%
5597-04-6 |
| Literature: Journal of the Chemical Society, , p. 1311 |
|
~%
5597-04-6 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 3 p. 345 - 348 |
|
~7%
5597-04-6
Detail
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| Literature: Heterocycles, , vol. 19, # 12 p. 2275 - 2278 |
|
~%
5597-04-6 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 3 p. 345 - 348 |
|
~0%
5597-04-6
Detail
|
| Literature: Kaneko, Chikara; Naito, Toshihiko; Miwa, Chiemi Heterocycles, 1982 , vol. 19, # 12 p. 2275 - 2278 |
|
~%
5597-04-6 |
| Literature: Helvetica Chimica Acta, , vol. 61, p. 1730 - 1755 Journal of the Chemical Society, , p. 2214,2216 Archiv der Pharmazie (Weinheim, Germany), , vol. 291, p. 560,565 |
|
~%
5597-04-6 |
| Literature: Helvetica Chimica Acta, , vol. 61, p. 1730 - 1755 |
|
~%
5597-04-6 |
| Literature: Chemische Berichte, , vol. 102, p. 3656 - 3665 |
| Precursor 10 | |
|---|---|
| DownStream 3 | |
![2-[2-(2-amino-ethyl)-benzoyl]-3,4-dihydro-2H-isoquinolin-1-one structure](https://image.chemsrc.com/caspic/119/114254-93-2.png)
| 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% |