Introduction：Basic information about CAS 56617-45-9|5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-OXO-1-M-TOLYL-PYRROLIDINE-3-CARBOXYLIC ACID |
|---|
| CAS Number | 56617-45-9 | Molecular Weight | 219.23700 |
|---|
| Density | 1.297g/cm3 | Boiling Point | 518.8ºC at 760mmHg |
|---|
| Molecular Formula | C12H13NO3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 267.6ºC |
|---|
Names
| Name | 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.297g/cm3 |
|---|
| Boiling Point | 518.8ºC at 760mmHg |
|---|
| Molecular Formula | C12H13NO3 |
|---|
| Molecular Weight | 219.23700 |
|---|
| Flash Point | 267.6ºC |
|---|
| Exact Mass | 219.09000 |
|---|
| PSA | 57.61000 |
|---|
| LogP | 1.49750 |
|---|
| InChIKey | FEIYFABONGDZKQ-UHFFFAOYSA-N |
|---|
| SMILES | Cc1cccc(N2CC(C(=O)O)CC2=O)c1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UY0570000
- CHEMICAL NAME :
- 3-Pyrrolidinecarboxylic acid, 1-(3-methylphenyl)-5-oxo-
- CAS REGISTRY NUMBER :
- 56617-45-9
- BEILSTEIN REFERENCE NO. :
- 0211058
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H13-N-O3
- MOLECULAR WEIGHT :
- 219.26
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 26,75,1974
|
Safety Information
| Hazard Codes | Xi |
|---|
| HS Code | 2933990090 |
|---|
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% |
|---|
Synonyms
| 5-Oxo-1-m-tolyl-pyrrolidine-3-carboxylic acid |
| F1799-0546 |
| 5-Oxo-1-m-tolyl-pyrrolidin-3-carbonsaeure |
