| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 12 | No |
Popular Name: 3-(2-thienyl)-1H-pyrazole-4-carbaldehyde 3-(2-thienyl)-1H-pyrazole-4-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 197007-87-7 , 26033-27-2 , [26033-27-2]
3-(Thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
3-thien-2-yl-1H-pyrazole-4-carbaldehyde
3-Thiophen-2-yl-1H-pyrazole-4-carbaldehyde
| 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) | 1.49 | 3.4 | -8.19 | 1 | 3 | 0 | 46 | 178.216 | 2 | ↓ |
| Ref Reference (pH 7) | 1.49 | 3.3 | -7.38 | 1 | 3 | 0 | 46 | 178.216 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 102 - 103 | Acros Organics |
| MP | 69-71° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
