| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 8 | Yes |
Popular Name: Pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 000634-97-9 , 634-97-9 , N/A , [634-97-9]
"Pyrrole-2-carboxylic acid, 98%"
Pyrrole-2-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) | 0.66 | 1.87 | -49.24 | 1 | 3 | -1 | 56 | 110.092 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 201 - 203 | KeyOrganics |
| MP | 204 - 208 | Enamine Building Blocks |
| MP | 204...208 | Enamine Building Blocks |
| Mp [°C] | 207 - 208 | Acros Organics |
| MP | 208 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Melting_Point | ca 208? subl. | Alfa-Aesar |
| Melting_Point | ca 208° subl. | Alfa-Aesar |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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 |
| UniProt Database Links | P2CO_ARTSY | ChEBI |
| 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 |
| Patent Database Links | WO2005023819 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.