Introduction：Basic information about CAS 4414-88-4|(2-Benzimidazolyl)acetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2-Benzimidazolyl)acetonitrile |
|---|
| CAS Number | 4414-88-4 | Molecular Weight | 157.172 |
|---|
| Density | 1.3±0.1 g/cm3 | Boiling Point | 439.5±28.0 °C at 760 mmHg |
|---|
| Molecular Formula | C9H7N3 | Melting Point | 200-205 °C (dec.)(lit.) |
|---|
| MSDS | / | Flash Point | 142.5±9.2 °C |
|---|
Names
| Name | (2-Benzimidazolyl)acetonitrile |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|
| Boiling Point | 439.5±28.0 °C at 760 mmHg |
|---|
| Melting Point | 200-205 °C (dec.)(lit.) |
|---|
| Molecular Formula | C9H7N3 |
|---|
| Molecular Weight | 157.172 |
|---|
| Flash Point | 142.5±9.2 °C |
|---|
| Exact Mass | 157.063995 |
|---|
| PSA | 52.47000 |
|---|
| LogP | 0.94 |
|---|
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
|---|
| Index of Refraction | 1.685 |
|---|
| InChIKey | BWOVACANEIVHST-UHFFFAOYSA-N |
|---|
| SMILES | N#CCc1nc2ccccc2[nH]1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DD5650000
- CHEMICAL NAME :
- 2-Benzimidazoleacetonitrile
- CAS REGISTRY NUMBER :
- 4414-88-4
- BEILSTEIN REFERENCE NO. :
- 0128461
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H7-N3
- MOLECULAR WEIGHT :
- 157.19
- WISWESSER LINE NOTATION :
- T56 BM DNJ C1CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 343,185,1995
|
Safety Information
| Hazard Codes | Xn:Harmful; |
|---|
| Risk Phrases | R20/21/22;R36/37/38 |
|---|
| Safety Phrases | S26-S37/39-S24/25 |
|---|
| RIDADR | 3276 |
|---|
| WGK Germany | 3 |
|---|
| RTECS | DD5650000 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 6.1 |
|---|
| 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
| 1H-Benzimidazol-2-ylacetonitrile |
| EINECS 224-574-9 |
| (1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE |
| 2-(1H-benzo[d]imidazol-2-yl)acetonitrile |
| 1H-Benzimidazole-2-acetonitrile |
| MFCD00005601 |
| 2-(Cyanomethyl)benzimidazole |
