CAS 771-51-7|3-Indoleacetonitrile
Introduction：Basic information about CAS 771-51-7|3-Indoleacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Indoleacetonitrile | ||
|---|---|---|---|
| CAS Number | 771-51-7 | Molecular Weight | 156.184 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 374.1±17.0 °C at 760 mmHg |
| Molecular Formula | C10H8N2 | Melting Point | 33-36 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 127.6±6.1 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | indole-3-acetonitrile |
|---|---|
| Synonym | More Synonyms |
3-Indoleacetonitrile BiologicalActivity
| Description | 3-Indoleacetonitrile is an endogenous metabolite. |
|---|---|
| Related Catalog | Research Areas >>Metabolic Disease |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 374.1±17.0 °C at 760 mmHg |
| Melting Point | 33-36 °C(lit.) |
| Molecular Formula | C10H8N2 |
| Molecular Weight | 156.184 |
| Flash Point | 127.6±6.1 °C |
| Exact Mass | 156.068741 |
| PSA | 39.58000 |
| LogP | 1.37 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.673 |
| InChIKey | DMCPFOBLJMLSNX-UHFFFAOYSA-N |
| SMILES | N#CCc1c[nH]c2ccccc12 |
| Storage condition | 2-8°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 255 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 + H312 + H332 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36/37 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| RTECS | AM0700000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 29339990 |
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% |
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Synonyms
| Indole-3-acetonitrile |
| 3-Indolacetonitrile |
| (3-Indolyl)acetonitrile |
| (indol-3-yl)acetonitrile |
| 3-cyanomethyl-1H-indole |
| Indolylacetonitrile |
| MFCD00005628 |
| 3-Indolylacetonitrile |
| Indolylacetonitril |
| Indole-3-acetonitrile (8CI) |
| usafcb-29 |
| 3-acetonitrilindole |
| EINECS 212-232-1 |
| 1H-Indol-3-ylacetonitrile |
| 3-indolyl acetonitrile |
| (1H-Indol-3-yl)acetonitrile |
| 3-Indoleacetonitrile |
| IAN |
| 3-indolyl-acetonitril |
| 1H-Indole-3-acetonitrile |
| Indoleacetonitrile |
| 3-ICN |
| 3-cyanomethylindole |
