| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 4-(trifluoromethyl)nicotinonitrile 4-(trifluoromethyl)nicotinonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13600-43-6 , [13600-43-6]
3-Cyano-4-(trifluoromethyl)pyridine
3-Cyano-4-(trifluoromethyl)pyridine 95+%
4-Trifluoromethyl-3-pyridinenitrile
| 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 | 3.94 | -7.08 | 0 | 2 | 0 | 37 | 172.109 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 4.21 | -50.77 | 1 | 2 | 1 | 38 | 173.117 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 75-77°/15mm | Matrix Scientific |
| BP [°C] | 90 (p=15 torr) | Acros Organics |
| Purity | 95% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin | Acros Organics |
| Warnings | IRRITANT | 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.