| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | Yes |
Popular Name: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid 2-[4-(trifluoromethyl)phenyl]-1,…
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CAS Numbers: 144061-16-5 , 1559059-84-5 , [144061-16-5]
2-(4-(Trifluoromethyl)phenyl)thiazole-4-carboxylic acid
2-(4-Trifluoromethyl-phenyl)-thiazole-4-carboxylic acid
2-(4-Trifluoromethyl-phenyl)thiazole-4-carboxylicacid
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid hydrate
| 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) | 3.49 | 1.53 | -53.18 | 0 | 3 | -1 | 53 | 272.227 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 186 - 188 | Acros Organics |
| melting_point | 188 - 191 | KeyOrganics |
| MP | 188-191° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H332: Harmful if inhaled; H302: Harmful if swallowed; H315: Causes skin irritation; 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | 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 | 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.