| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 7 | No |
Popular Name: 1H-imidazole-4-carbaldehyde 1H-imidazole-4-carbaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3034-50-2 , [3034-50-2]
"Imidazole-4-carboxaldehyde, 98%"
Imidazole-4-carboxaldehyde, 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) | -0.04 | 1.78 | -15.99 | 1 | 3 | 0 | 46 | 96.089 | 1 | ↓ |
| Ref Reference (pH 7) | -0.04 | 1.72 | -10.42 | 1 | 3 | 0 | 46 | 96.089 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 2.23 | -39.74 | 2 | 3 | 1 | 47 | 97.097 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 170.5 - 172.7 | Acros Organics |
| MP | 174 - 177 | Enamine Building Blocks |
| Melting_Point | 174-177? | Alfa-Aesar |
| Melting_Point | 174-177° | Alfa-Aesar |
| MP | 174...177 | Enamine Building Blocks |
| MP | 175 | TCI |
| MP | 175-179° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.