Introduction:Basic information about CAS 590395-51-0|Benzoic acid, 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-, methyl ester (9CI), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzoic acid, 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-, methyl ester (9CI) |
|---|
| CAS Number | 590395-51-0 | Molecular Weight | 257.28400 |
|---|
| Density | 1.13g/cm3 | Boiling Point | 420.9ºC at 760 mmHg |
|---|
| Molecular Formula | C15H15NO3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 208.4ºC |
|---|
Names
| Name | methyl-2-(3-formyl-2,5-dimethyl-1h-pyrrol-1-yl)benzoate |
|---|
Chemical & Physical Properties
| Density | 1.13g/cm3 |
|---|
| Boiling Point | 420.9ºC at 760 mmHg |
|---|
| Molecular Formula | C15H15NO3 |
|---|
| Molecular Weight | 257.28400 |
|---|
| Flash Point | 208.4ºC |
|---|
| Exact Mass | 257.10500 |
|---|
| PSA | 48.30000 |
|---|
| LogP | 2.69320 |
|---|
| Index of Refraction | 1.558 |
|---|
| InChIKey | LNXNZQRRMQVGGF-UHFFFAOYSA-N |
|---|
| SMILES | COC(=O)c1ccccc1-n1c(C)cc(C=O)c1C |
|---|
Safety Information
Customs
| HS Code | 2933990090 |
|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|