| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 8 | No |
Popular Name: 4-methyl-1H-imidazole-5-carbaldehyde 4-methyl-1H-imidazole-5-carbalde…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14175-03-2 , 68282-53-1 , [68282-53-1]
1H-Imidazole-4-carboxaldehyde, 5-methyl- (9CI)
1H-imidazole-5-carboxaldehyde, 4-methyl-
4-Methyl-1H-imidazole-5-carboxaldehyde
4-Methylimidazole-5-carboxaldehyde
5-Methyl-1H-imidazole-4-carbaldehyde
5-Methylimidazole-4-carboxaldehyde
| 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 | 2.3 | -8.65 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
| Ref Reference (pH 7) | 0.18 | 2.32 | -14.97 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 2.82 | -39.24 | 2 | 3 | 1 | 47 | 111.124 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 165 - 166 | Acros Organics |
| Melting_Point | 166-170? | Alfa-Aesar |
| Melting_Point | 166-170° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0020173A1; EP0024829A1; EP0034473A2; EP0034474A1; EP0081324A2; EP0091056A2; EP0192060A1; EP0361317A2; EP0361317B1; EP0451538A2; EP0451538B1; EP0532754A1; EP0816310A2; EP0818431A1; EP0948495A1; EP0969840A1; US4107307; US4107308; US4124766; US4168964; US4 | IBM Patent Data |
| 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 |
| 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 |
