| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 7 | Yes |
Popular Name: 3-Fluoropyridine 3-Fluoropyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 372-47-4 , [372-47-4]
3-Fluoropyridine; CCRIS 1717; EINECS 206-755-4; LS-188127; NSC 5078; Pyridine, 3-fluoro- (8CI)
| 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) | 1.03 | 2.81 | -3.92 | 0 | 1 | 0 | 13 | 97.092 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 106 | TCI |
| Boiling_Point | 106-108? | Alfa-Aesar |
| Boiling_Point | 106-108° | Alfa-Aesar |
| BP [°C] | 107 - 108 | Acros Organics |
| BP | 107-108° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Matrix Scientific |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| Warnings | Flammable/Irritant | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H225: Highly flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT, FLAMMABLE | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Notes | Tetrahedron, 39, 2009 (1983): with LDA lithiation is at the 2-position initially, however with longer reaction times the major product is the 4-litho derivative. Ask for other refs. | Apollo Scientific |
No pre-computed analogs available. Try a structural similarity search.