Introduction：Basic information about CAS 54744-66-0|1H-Indole-3-acetonitrile,2,3-dihydro-2-oxo-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1H-Indole-3-acetonitrile,2,3-dihydro-2-oxo- |
|---|
| CAS Number | 54744-66-0 | Molecular Weight | 172.18300 |
|---|
| Density | 1.212g/cm3 | Boiling Point | 406.5ºC at 760 mmHg |
|---|
| Molecular Formula | C10H8N2O | Melting Point | / |
|---|
| MSDS | / | Flash Point | 199.6ºC |
|---|
Names
| Name | 2-(2-oxo-1,3-dihydroindol-3-yl)acetonitrile |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.212g/cm3 |
|---|
| Boiling Point | 406.5ºC at 760 mmHg |
|---|
| Molecular Formula | C10H8N2O |
|---|
| Molecular Weight | 172.18300 |
|---|
| Flash Point | 199.6ºC |
|---|
| Exact Mass | 172.06400 |
|---|
| PSA | 52.89000 |
|---|
| LogP | 1.77398 |
|---|
| Index of Refraction | 1.569 |
|---|
| InChIKey | HGYKSFCCBATMSI-UHFFFAOYSA-N |
|---|
| SMILES | N#CCC1C(=O)Nc2ccccc21 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL3669000
- CHEMICAL NAME :
- 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
- CAS REGISTRY NUMBER :
- 54744-66-0
- BEILSTEIN REFERENCE NO. :
- 0151303
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H8-N2-O
- MOLECULAR WEIGHT :
- 172.20
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1378 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 94,1620,1974
|
Safety Information
Customs
| HS Code | 2933790090 |
|---|
| Summary | 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
|---|
Synonyms
| (2-oxo-2,3-dihydroindol-3-yl)acetonitrile |
| (2-oxo-indolin-3-yl)-acetonitrile |
| 2-(2-oxoindolin-3-yl)acetonitrile |
| (2-Oxo-indolin-3-yl)-acetonitril |
| (2,3-dihydro-2-oxo-1H-indol-3-yl)acetonitrile |
| 1H-Indole-3-acetonitrile,2,3-dihydro-2-oxo |
| 2,3-Dihydro-2-oxo-1H-indole-3-acetonitrile |
| 3-Oxoindolyl-acetonitril |
| 2-(2-oxoindolin-3-yl)ethanenitrile |
| (2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile |
