| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: Ethyl 4-pyrazolecarboxylate Ethyl 4-pyrazolecarboxylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1242339-75-8 , 37622-90-5 , [37622-90-5]
"Ethyl 4-pyrazolecarboxylate, 98%"
1H-Pyrazole-4-carboxylic acid ethyl ester
1H-pyrazole-4-carboxylic acid, ethyl ester
1H-Pyrazole-4-carboxylic acid, ethyl ester (9CI)
1H-pyrazole-4-carboxylic acid, ethyl ester, hydrochloride
1H-pyrazole-4-carboxylic acid, ethyl ester, monohydrochloride
Ethyl 1H-pyrazole-4-carboxylate
Ethyl 1H-pyrazole-4-carboxylate 98+%
Ethyl 1H-pyrazole-4-carboxylate hydrochloride
Ethyl 1H-pyrazole-4-carboxylate, 98%
Ethyl 4-pyrazolecarboxylate, 98%
| 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) | 0.46 | 2.59 | -7.56 | 1 | 4 | 0 | 55 | 140.142 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 138 - 140 (p=3 torr) | Acros Organics |
| Boiling_Point | 138-140?/3mm | Alfa-Aesar |
| BP | 138-140°/3mm | Oakwood Chemical |
| MP | 71 - 73 | Enamine Building Blocks |
| MP | 71...73 | Enamine Building Blocks |
| Melting_Point | 75-78? | Alfa-Aesar |
| Melting_Point | 75-78° | Alfa-Aesar |
| Melting_Point | 75-80? | Alfa-Aesar |
| MP | 78 - 80 | Enamine Building Blocks |
| MP | 78-80° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin 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 | 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 | US5856560; WO1995034526A1; WO2000003974A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.