3-Ethynylaniline
- Product Name3-Ethynylaniline
- CAS54060-30-9
- CBNumberCB4417819
- MFC8H7N
- MW117.15
- EINECS258-944-6
- MDL NumberMFCD00014779
- MOL File54060-30-9.mol
Chemical Properties
| Melting point: | 27°C |
| Boiling point: | 92-93 °C (2 mmHg) |
| Density | 1.04 |
| refractive index | 1.614-1.616 |
| Flash point: | 138 °F |
| storage temp. | 2-8°C |
| solubility | Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly) |
| pka | 3.67±0.10(Predicted) |
| form | Liquid |
| Specific Gravity | 1.12 |
| color | Clear yellow to brown |
| Water Solubility | Insoluble in water. |
| BRN | 2935417 |
| Stability: | Light Sensitive |
| InChI | 1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 |
| InChIKey | NNKQLUVBPJEUOR-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)C#C |
| CAS DataBase Reference | 54060-30-9(CAS DataBase Reference) |
| NIST Chemistry Reference | M-aminophenylacetylene(54060-30-9) |
| EPA Substance Registry System | Benzenamine, 3-ethynyl- (54060-30-9) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi,F | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-37/39-36/37 | |||||||||
| RIDADR | UN 1993 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | Ⅲ | |||||||||
| HS Code | 29214990 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
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| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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