| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 10 | No |
Popular Name: 2-Methoxybenzaldehyde 2-Methoxybenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 135-02-4 , 2/4/135 , 4/2/135 , [135-02-4]
| 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) | 1.74 | 4.83 | -9.29 | 0 | 2 | 0 | 26 | 136.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.705 | Bitter DB |
| Boiling_Point | 237-238? | Alfa-Aesar |
| Boiling_Point | 237-238° | Alfa-Aesar |
| BP [°C] | 238 | Acros Organics |
| BP | 243 | TCI |
| Mp [°C] | 34 - 40 | Acros Organics |
| MP | 34-40 °C(lit.) | Indofine |
| MP | 34...40 | Enamine Building Blocks |
| Melting_Point | 35-39? | Alfa-Aesar |
| Melting_Point | 35-39° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P304 + P340: IF INHALED: Remove to fresh air | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/38: Irritating to eyes 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 |
| PUBCHEM_PATENT_ID | WO1994023732A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO2000078733A1 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.