| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2005 | 11 | No |
Popular Name: 4-nitro-1H-pyrazole-3-carboxylic acid 4-nitro-1H-pyrazole-3-carboxylic…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5334-40-7 , 5334-59-7 , N/A , [5334-40-7]
"4-Nitro-3-pyrazolecarboxylic acid, 98%"
4-Nitro pyrazole-3-carboxylic acid
4-Nitro-1H-pyrazole-3-carboxylic acid, 98%
4-Nitro-1H-Pyrazole-3-CarboxylicAcid
4-nitro-1H-pyrazole-5-carboxylic acid
4-Nitro-3-pyrazolecarboxylic acid
4-Nitro-3-pyrazolecarboxylic acid, 95%
| 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) | 0.02 | 1.63 | -41.97 | 1 | 7 | -1 | 115 | 156.077 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 195°(dec) | Matrix Scientific |
| MP | 223 - 225 | Enamine Building Blocks |
| MP | 223...225 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 195? dec. | Alfa-Aesar |
| Melting_Point | ca 195° dec. | Alfa-Aesar |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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 |
No pre-computed analogs available. Try a structural similarity search.