Introduction：Basic information about CAS 4382-54-1|5-methoxyindole-2-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-methoxyindole-2-carboxylic acid |
|---|
| CAS Number | 4382-54-1 | Molecular Weight | 191.183 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 447.6±25.0 °C at 760 mmHg |
|---|
| Molecular Formula | C10H9NO3 | Melting Point | 199-201 °C(lit.) |
|---|
| MSDS | USA | Flash Point | 224.5±23.2 °C |
|---|
Names
| Name | 5-methoxyindole-2-carboxylic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 447.6±25.0 °C at 760 mmHg |
|---|
| Melting Point | 199-201 °C(lit.) |
|---|
| Molecular Formula | C10H9NO3 |
|---|
| Molecular Weight | 191.183 |
|---|
| Flash Point | 224.5±23.2 °C |
|---|
| Exact Mass | 191.058243 |
|---|
| PSA | 62.32000 |
|---|
| LogP | 2.22 |
|---|
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
|---|
| Index of Refraction | 1.677 |
|---|
| InChIKey | YEBJVSLNUMZXRJ-UHFFFAOYSA-N |
|---|
| SMILES | COc1ccc2[nH]c(C(=O)O)cc2c1 |
|---|
| Storage condition | Refrigerator |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL6005000
- CHEMICAL NAME :
- Indole-2-carboxylic acid, 5-methoxy-
- CAS REGISTRY NUMBER :
- 4382-54-1
- LAST UPDATED :
- 199109
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H9-N-O3
- MOLECULAR WEIGHT :
- 191.20
- WISWESSER LINE NOTATION :
- T56 BMJ CVQ GO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 350 mg/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: 9,453,1974
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|
| Hazard Codes | Xi |
|---|
| Safety Phrases | S22-S24/25 |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 3 |
|---|
| RTECS | NL6005000 |
|---|
| 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-methoxy-1H-indole-2-carboxylic acid |
| EINECS 224-487-6 |
| MFCD00005614 |
| 5-methoxyindole-2-carboxylic acid |
