| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2008 | 14 | Yes |
Popular Name: 2-Chloro-5-(trifluoromethyl)nicotinic acid 2-Chloro-5-(trifluoromethyl)nico…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 505084-59-3 , [505084-59-3]
2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid
2-Chloro-5-(Trifluoromethyl)-3-PyridinecarboxylicAcid
2-Chloro-5-(trifluoromethyl)nicotinic acid, 97%
2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylicacid
2-Chloro-5-trifluoromethyl-nicotinic acid
2-Chloro-5-trifluoromethylnicotinic acid
| 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) | 2.12 | 3.66 | -40.29 | 0 | 3 | -1 | 53 | 224.545 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 167 - 168 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 167...168 | Enamine Building Blocks |
| Melting_Point | 173-178? | Alfa-Aesar |
| Mp [°C] | 281 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.