| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 7 | No |
Popular Name: tert-Butyl nitrite tert-Butyl nitrite
Find On: PubMed — Wikipedia — Google
CAS Numbers: 289042-12-2 , 540-80-7 , [289042-12-2]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.28 | 3.68 | -3.63 | 0 | 3 | 0 | 39 | 103.121 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 61 - 63 | Acros Organics |
| Boiling_Point | 61-63? | Alfa-Aesar |
| Boiling_Point | 61-63° | Alfa-Aesar |
| BP | 63 | TCI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P210: Keep away from heat/sparks/open flames/hot surfaces. | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S24: Avoid contact with skin.; S46: If swallowed, seek medical advice immediately and show this container or label. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.