1-Heptyne
- Product Name1-Heptyne
- CAS628-71-7
- CBNumberCB3171402
- MFC7H12
- MW96.17
- EINECS211-051-5
- MDL NumberMFCD00009529
- MOL File628-71-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | -81 °C (lit.) |
| Boiling point | 99-100 °C (lit.) |
| Density | 0.733 g/mL at 25 °C (lit.) |
| vapor pressure | 93.1 mm Hg ( 37.7 °C) |
| refractive index | n |
| Flash point | 28 °F |
| storage temp. | Flammables area |
| form | Liquid |
| color | Clear colorless to light yellow-green |
| Water Solubility | Soluble in organic solvents. Insoluble in water. |
| BRN | 1733518 |
| Henry's Law Constant | 1.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| InChI | 1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3 |
| InChIKey | YVXHZKKCZYLQOP-UHFFFAOYSA-N |
| SMILES | CCCCCC#C |
| LogP | 3.208 (est) |
| CAS DataBase Reference | 628-71-7(CAS DataBase Reference) |
| FDA UNII | Z3NF9SSH6K |
Safety
| Symbol(GHS) |
  
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| Signal word | Danger | |||||||||
| Hazard statements | H315-H319-H304-H225 | |||||||||
| Precautionary statements | P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P403+P235-P405 | |||||||||
| Hazard Codes | F,Xn | |||||||||
| Risk Statements | 11-36/37/38-65 | |||||||||
| Safety Statements | 16-26-36-62-9-33 | |||||||||
| RIDADR | UN 3295 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-23 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29012980 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Flam. Liq. 2 | |||||||||
| NFPA 704: |
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