O-(4-Chlorobenzoyl)hydroquinine
Modify Date: 2025-08-27 23:22:20
O-(4-Chlorobenzoyl)hydroquinine structure
|
Common Name | O-(4-Chlorobenzoyl)hydroquinine | ||
|---|---|---|---|---|
| CAS Number | 113216-88-9 | Molecular Weight | 464.98400 | |
| Density | 1.28g/cm3 | Boiling Point | 598ºC at 760mmHg | |
| Molecular Formula | C27H29ClN2O3 | Melting Point | 128-130ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 315.5ºC | |
| Name | [(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.28g/cm3 |
|---|---|
| Boiling Point | 598ºC at 760mmHg |
| Melting Point | 128-130ºC(lit.) |
| Molecular Formula | C27H29ClN2O3 |
| Molecular Weight | 464.98400 |
| Flash Point | 315.5ºC |
| Exact Mass | 464.18700 |
| PSA | 51.66000 |
| LogP | 5.85320 |
| Vapour Pressure | 2.91E-14mmHg at 25°C |
| Index of Refraction | 1.639 |
| InChIKey | TXVNNFDXQZFMBQ-MFQNCIFPSA-N |
| SMILES | CCC1CN2CCC1CC2C(OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc12 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Safety Phrases | S22-S24/25 |
| RIDADR | UN 1544 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
|
~%
O-(4-Chlorobenz... CAS#:113216-88-9 |
| Literature: Khripach, V. A.; Zhabinskii, V. A.; Ol'khovik, V. K.; Ivanova, G. I.; Zhernosek, E. V.; Kotyatkina, A. I. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 11.1 p. 1735 - 1740 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 11 p. 1650 - 1655 |
|
~%
O-(4-Chlorobenz... CAS#:113216-88-9 |
| Literature: Khripach, V. A.; Zhabinskii, V. A.; Ol'khovik, V. K.; Ivanova, G. I.; Zhernosek, E. V.; Kotyatkina, A. I. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 11.1 p. 1735 - 1740 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 11 p. 1650 - 1655 |
| Precursor 3 | |
|---|---|
| DownStream 0 | |
| Hydroquinine 4-chlorobenzoate |
| (1R)-((1S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate |
| O-(4-chlorobenzoyl)-hydroquinine |
| Dihydroquinine 4-chlorobenzoate |
| 10,11-dihydroquinine p-chlorobenzoate |
| MFCD00161486 |