Introduction：Basic information about CAS 70591-86-5|3-(3-Bromophenyl)-3-oxopropanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(3-Bromophenyl)-3-oxopropanenitrile |
|---|
| CAS Number | 70591-86-5 | Molecular Weight | 224.054 |
|---|
| Density | 1.5±0.1 g/cm3 | Boiling Point | 364.8±27.0 °C at 760 mmHg |
|---|
| Molecular Formula | C9H6BrNO | Melting Point | 93-95ºC |
|---|
| MSDS | / | Flash Point | 174.4±23.7 °C |
|---|
Names
| Name | 3-(3-Bromophenyl)-3-oxopropanenitrile |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|
| Boiling Point | 364.8±27.0 °C at 760 mmHg |
|---|
| Melting Point | 93-95ºC |
|---|
| Molecular Formula | C9H6BrNO |
|---|
| Molecular Weight | 224.054 |
|---|
| Flash Point | 174.4±23.7 °C |
|---|
| Exact Mass | 222.963272 |
|---|
| PSA | 40.86000 |
|---|
| LogP | 1.88 |
|---|
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
|---|
| Index of Refraction | 1.574 |
|---|
| InChIKey | VBFNSHGLANEMRM-UHFFFAOYSA-N |
|---|
| SMILES | N#CCC(=O)c1cccc(Br)c1 |
|---|
Safety Information
| Hazard Codes | Xi |
|---|
| HS Code | 2926909090 |
|---|
Customs
| HS Code | 2926909090 |
|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
|---|
Synonyms
| 3-(3-Bromo-phenyl)-3-oxo-propionitr; ile |
| 3-(3-Bromophenyl)-3-oxopropanenitrile |
| MFCD02260778 |
| Benzenepropanenitrile, 3-bromo-β-oxo- |
