Introduction：Basic information about CAS 53330-94-2|1-(1H-Indol-5-yl)ethanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(1H-Indol-5-yl)ethanone |
|---|
| CAS Number | 53330-94-2 | Molecular Weight | 159.185 |
|---|
| Density | 1.2±0.1 g/cm3 | Boiling Point | 333.9±15.0 °C at 760 mmHg |
|---|
| Molecular Formula | C10H9NO | Melting Point | 95-96ºC |
|---|
| MSDS | / | Flash Point | 163.7±27.8 °C |
|---|
Names
| Name | 1-(1H-indol-5-yl)ethanone |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|
| Boiling Point | 333.9±15.0 °C at 760 mmHg |
|---|
| Melting Point | 95-96ºC |
|---|
| Molecular Formula | C10H9NO |
|---|
| Molecular Weight | 159.185 |
|---|
| Flash Point | 163.7±27.8 °C |
|---|
| Exact Mass | 159.068420 |
|---|
| PSA | 32.86000 |
|---|
| LogP | 1.59 |
|---|
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
|---|
| Index of Refraction | 1.648 |
|---|
| InChIKey | GOFIUEUUROFVMA-UHFFFAOYSA-N |
|---|
| SMILES | CC(=O)c1ccc2[nH]ccc2c1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OB4525000
- CHEMICAL NAME :
- Ketone, indol-5-yl methyl
- CAS REGISTRY NUMBER :
- 53330-94-2
- BEILSTEIN REFERENCE NO. :
- 0118713
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H9-N-O
- MOLECULAR WEIGHT :
- 159.20
- WISWESSER LINE NOTATION :
- T56 BMJ GV1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 450 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
| Hazard Codes | Xi |
|---|
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | 26-36/37/39 |
|---|
| 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
| 1-(1H-Indol-5-yl)ethanone |
| 5-acetyl-1h-indole |
| 1-indol-5-yl-ethanone |
| 5-Acetylindole |
| 1-(1H-Indol-5-yl)-ethanone |
| 1-Indol-5-yl-aethanon |
| Ethanone, 1-(1H-indol-5-yl)- |
| Acetyl-5-indole [French] |
| MFCD00481875 |
| KETONE,INDOL-5-YL METHYL |
| Acetyl-5-indole |
