| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | No |
Popular Name: 3,4,5-trimethoxybenzaldehyde 3,4,5-trimethoxybenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1219805-17-0 , 86-81-7 , [86-81-7]
3,4,5-Trimethoxybenzaldehyde [86-81-7]
3,4,5-Trimethoxybenzaldehyde, 98%
3,4,5-Trimethoxybenzaldehyde, 99%
3,4,5-TRIMETHOXYBENZALDEHYDE; [86-81-7]
| 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) | 1.36 | 3.37 | -10.7 | 0 | 4 | 0 | 45 | 196.202 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 163 - 165 (p=10 torr) | Acros Organics |
| Boiling_Point | 163-165?/10mm | Alfa-Aesar |
| Boiling_Point | 163-165°/10mm | Alfa-Aesar |
| BP | 165 / 10 | TCI |
| MP | 28 - 32 | Enamine Building Blocks |
| MP | 28...32 | Enamine Building Blocks |
| MP | 72-74 °C(lit.) | Indofine |
| MP | 72-74° | Oakwood Chemical |
| Mp [°C] | 73 - 76 | Acros Organics |
| MP | 73-76o C | Indofine |
| Melting_Point | 73-77? | Alfa-Aesar |
| Melting_Point | 73-77° | Alfa-Aesar |
| MP | 76 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| SOLUBILITY | methanol: 0.1 g/mL, clear | Indofine |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| Hazard | XN: Harmful | Acros Organics |
