| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 8 | No |
Popular Name: 1-Methyl-2-imidazolecarboxaldehyde 1-Methyl-2-imidazolecarboxaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13750-72-7 , 13750-81-7 , [13750-81-7]
"1-Methyl-1H-imidazole-2-carbaldehyde, 98%"
1-Methyl-1H-imidazole-2-carbaldehyde
1-Methyl-2-imidazolecarboxaldehyde, 97%
1-Methylimidazole-2-carbaldehyde
1-Methylimidazole-2-carboxaldehyde
1-Methylimidazole-2-carboxaldehyde, 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) | -0.11 | 2.67 | -7.07 | 0 | 3 | 0 | 35 | 110.116 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 3.13 | -34.07 | 1 | 3 | 1 | 36 | 111.124 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 35 - 39 | Acros Organics |
| Melting_Point | 36-39? | Alfa-Aesar |
| MP | 36-39° | Matrix Scientific |
| BP [°C] | 70 - 74 (p=1 torr) | Acros Organics |
| Boiling_Point | 70-74?/1mm | Alfa-Aesar |
| BP | 70-74°/1mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| 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.