540-80-7
| Name | tert-Butyl nitrite |
| CAS | 540-80-7 |
| EINECS(EC#) | 208-757-0 |
| Molecular Formula | C4H9NO2 |
| MDL Number | MFCD00002055 |
| Molecular Weight | 103.12 |
| MOL File | 540-80-7.mol |
Chemical Properties
| Appearance | clear yellow liquid |
| Boiling point | 61-63 °C(lit.) |
| density | 0.867 g/mL at 25 °C(lit.) |
| vapor pressure | 13.466kPa at 25℃ |
| refractive index | n |
| Fp | −10 °F |
| storage temp. | 2-8°C |
| solubility | alcohol: very soluble(lit.) |
| form | Liquid |
| color | Clear yellow |
| Water Solubility | slightly soluble |
| Merck | 14,1583 |
| BRN | 1209339 |
| Henry's Law Constant | 7.9×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | 1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3 |
| InChIKey | IOGXOCVLYRDXLW-UHFFFAOYSA-N |
| SMILES | CC(C)(C)ON=O |
| LogP | 2.24 at 20℃ |
| CAS DataBase Reference | 540-80-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H302+H332 |
| Precautionary statements | P210-P233-P240-P241-P301+P312-P304+P340+P312 |
| Hazard Codes | F,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2351 3/PG 2 |
| WGK Germany | 1 |
| RTECS | RA0802000 |
| F | 8 |
| REACH Registrations | Active |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29209085 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Inhalation Acute Tox. 4 Oral Flam. Liq. 2 |