| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 9 | Yes |
Popular Name: 1-methyl-1H-pyrazole-3-carboxylic acid 1-methyl-1H-pyrazole-3-carboxyli…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25016-20-0 , 36929-61-0 , [25016-20-0]
1-Methyl-1H-pyrazole-3-carboxylic acid, 96%
1-Methyl-1H-Pyrazole-3-CarboxylicAcid
1-methyl-pyrazole-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) | 0.20 | 1.95 | -58.22 | 0 | 4 | -1 | 58 | 125.107 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 146-156? | Alfa-Aesar |
| Melting_Point | 146-156° | Alfa-Aesar |
| Mp [°C] | 150 - 152 | Acros Organics |
| MP | 150-152° | Matrix Scientific |
| MP | 154 - 156 | Enamine Building Blocks |
| MP | 154...156 | Enamine Building Blocks |
| BP | 306° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful 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 |
| PUBCHEM_PATENT_ID | WO1997043277A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
