| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2008 | 14 | Yes |
Popular Name: 2-chloro-4-(trifluoromethyl)nicotinic acid 2-chloro-4-(trifluoromethyl)nico…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 590371-81-6 , [590371-81-6]
2-Chloro-4-(trifluoromethyl)nicotinic acid, 97%
2-Chloro-4-(Trifluoromethyl)NicotinicAcid
2-Chloro-4-(trifluoromethyl)pyridine-3-carboxylic 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) | 2.06 | 1.59 | -49.35 | 0 | 3 | -1 | 53 | 224.545 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 150 - 151 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 150-151° | Oakwood Chemical |
| MP | 157 - 160 | Enamine Building Blocks |
| Mp [°C] | 158 - 159 | Acros Organics |
| Melting_Point | 158-159? | Alfa-Aesar |
| MP | 158-159° | Matrix Scientific |
| melting_point | 159 - 160 | KeyOrganics |
| MP | 159 - 161 | Enamine Building Blocks |
| MP | 159...161 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | 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 | 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.