CAS 129944-99-6|m-hydroxybenzoylecgonine
| Common Name | m-hydroxybenzoylecgonine | ||
|---|---|---|---|
| CAS Number | 129944-99-6 | Molecular Weight | 305.32600 |
| Density | 1.38g/cm3 | Boiling Point | 513.9ºC at 760mmHg |
| Molecular Formula | C16H19NO5 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 264.6ºC |
| Symbol | GHS02, GHS06, GHS08 | Signal Word | Danger |
Names
| Name | (1S,3S,4R,5R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.38g/cm3 |
|---|---|
| Boiling Point | 513.9ºC at 760mmHg |
| Molecular Formula | C16H19NO5 |
| Molecular Weight | 305.32600 |
| Flash Point | 264.6ºC |
| Exact Mass | 305.12600 |
| PSA | 87.07000 |
| LogP | 1.42280 |
| Vapour Pressure | 2.18E-11mmHg at 25°C |
| Index of Refraction | 1.625 |
| InChIKey | XCJJCRPRQYXLRE-AHLTXXRQSA-N |
| SMILES | CN1C2CCC1C(C(=O)O)C(OC(=O)c1cccc(O)c1)C2 |
| Storage condition | −20°C |
Safety Information
| Symbol | GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370 |
| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S22 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 3 |
Articles8
More Articles| Application of a validated high-performance liquid chromatography-mass spectrometry assay to the analysis of m- and p-hydroxybenzoylecgonine in meconium. J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 820(1) , 151-6, (2005) A high-performance liquid chromatography (HPLC)-mass spectrometry (MS) assay, already validated for opiates and cocaine in meconium, has been re-applied for determination of m- and p-hydroxybenzoylecg... | |
| m-Hydroxybenzoylecgonine: an important contributor to the immunoreactivity in assays for benzoylecgonine in meconium. J. Anal. Toxicol. 17(6) , 348-52, (1993) Meconium has been reported to be a more suitable specimen than maternal or neonatal urine for detecting fetal exposure to cocaine. In a study comparing various immunoassays with gas chromatography/mas... | |
| Complete automation of solid-phase extraction with subsequent liquid chromatography-tandem mass spectrometry for the quantification of benzoylecgonine, m-hydroxybenzoylecgonine, p-hydroxybenzoylecgonine, and norbenzoylecgonine in urine--application to a high-throughput urine analysis laboratory. J. Anal. Toxicol. 32(8) , 577-85, (2008) A fully automated system utilizing a liquid handler and an online solid-phase extraction (SPE) device coupled with liquid chromatography-tandem mass spectrometry (LC-MS-MS) was designed to process, de... |
Synonyms
| OBE |
| m-Hydroxybenzoylecgonine |
