Introduction：Basic information about CAS 25803-14-9|2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid |
|---|
| CAS Number | 25803-14-9 | Molecular Weight | 357.78800 |
|---|
| Density | 1.32g/cm3 | Boiling Point | 564ºC at 760 mmHg |
|---|
| Molecular Formula | C19H16ClNO4 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 294.9ºC |
|---|
Names
| Name | 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.32g/cm3 |
|---|
| Boiling Point | 564ºC at 760 mmHg |
|---|
| Molecular Formula | C19H16ClNO4 |
|---|
| Molecular Weight | 357.78800 |
|---|
| Flash Point | 294.9ºC |
|---|
| Exact Mass | 357.07700 |
|---|
| PSA | 68.53000 |
|---|
| LogP | 3.92730 |
|---|
| Vapour Pressure | 1.47E-13mmHg at 25°C |
|---|
| Index of Refraction | 1.619 |
|---|
| InChIKey | DGMZLCLHHVYDIS-UHFFFAOYSA-N |
|---|
| SMILES | COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL3490000
- CHEMICAL NAME :
- Indole-1-acetic acid, 3-(p-chlorobenzoyl)-6-methoxy-2-methyl-
- CAS REGISTRY NUMBER :
- 25803-14-9
- BEILSTEIN REFERENCE NO. :
- 1552200
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C19-H16-Cl-N-O4
- MOLECULAR WEIGHT :
- 357.81
- WISWESSER LINE NOTATION :
- T56 BNJ B1VQ C1 DVR DG& HO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,187,1975
|
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% |
|---|
Synonyms
| 6-Methoxy-2-methyl-3-p-chlorbenzoylindol-1-yl-essigsaeure |
| Clometacina [INN-Spanish] |
| Clomethacin |
| Clometazin |
| Clometacine [INN-French] |
| Clometacin |
| Clometacine |
| 3-p-Chlorbenzoyl-2-methyl-6-methoxyindol-1-yl-essigsaeure |
| EINECS 247-271-3 |
| Clometacinum [INN-Latin] |
| Clometacin [INN:DCF] |
| Duperan |
| [3-(4-chloro-benzoyl)-6-methoxy-2-methyl-indol-1-yl]-acetic acid |
