| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 19 | No |
Popular Name: 1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carbonyl chloride 1-benzyl-3-(tert-butyl)-1H-pyraz…
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CAS Number: 160233-29-4
1-Benzyl-3-(tert-butyl)pyrazole-5-carbonyl
1-Benzyl-3-(tert-butyl)pyrazole-5-carbonylchloride
| 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) | 4.62 | 2.22 | -4.51 | 0 | 3 | 0 | 34 | 276.767 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 143 (p=0.7 torr) | Acros Organics |
| Purity | 95% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.