| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 8 | Yes |
Popular Name: 1H-Pyrazole-4-carboxylic acid 1H-Pyrazole-4-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 37718-11-9 , 1134-50-5 , 1209620-58-5 , 37718-11-9 , [37718-11-9]
"4-Pyrazolecarboxylic acid, 98%"
1 H -Pyrazole-4-carboxylic acid
1-Phenyl-1H-pyrazole-4-carboxylic acid
1H-pyrazole-4-carboxylic acid hydrate
1H-Pyrazole-4-carboxylic acid, 97%
| 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) | -0.18 | 0.62 | -48.14 | 1 | 4 | -1 | 69 | 111.08 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 281 - 285 | Enamine Building Blocks |
| MP | 281(dec.) | Oakwood Chemical |
| Melting_Point | 281-283? | Alfa-Aesar |
| Melting_Point | 281-283° | Alfa-Aesar |
| MP | 281°(dec.) | Oakwood Chemical |
| Mp [°C] | 282 | Acros Organics |
| MP | 282 - 284 | Enamine Building Blocks |
| MP | 282...284 | Enamine Building Blocks |
| MP | 282° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye 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 |
| PUBCHEM_PATENT_ID | US4310619 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.