| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | No |
Popular Name: 4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-51-4 , 123-08-0 , 177478-49-8 , 284474-52-8 , 38896-30-9 , 58765-11-0 , [123-08-0] , [58765-11-0]
123-08-0; 4-Hydroxybenzaldehyde; C00633; p-Hydroxybenzaldehyde
123-08-0; 4-hydroxybenzaldehyde; p-Hydroxybenzaldehyde
4-(Difluoromethoxy)Phenacyl Bromide 141134-24-9] ; (2-Bromo-4'-(difluoromethoxy)acetophenone)
4-formylphenol; 4-hydroxybenzaldehyde; p-formylphenol
4-Hydroxybenzaldehyde potassium salt
4-Hydroxybenzaldehyde [123-08-0]
4-Hydroxybenzaldehyde, potassium salt
4-HYDROXYBENZALDEHYDE-2,3,5,6-D4
4-HYDROXYBENZALDEHYDE; [123-08-0]
CHEBI:1857; CHEBI:43009; CHEBI:12002; CHEBI:20396
| 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) | 1.25 | 1.39 | -7.98 | 1 | 2 | 0 | 37 | 122.123 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 2.16 | -42.7 | 0 | 2 | -1 | 40 | 121.115 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 112-116 °C(lit.) | Indofine |
| MP | 112-116° | Oakwood Chemical |
| Mp [°C] | 114 - 118 | Acros Organics |
| Melting_Point | 115-119? | Alfa-Aesar |
| Melting_Point | 115-119° | Alfa-Aesar |
| MP | 117 | TCI |
| MP | 117 - 119 | Enamine Building Blocks |
| MP | 117...119 | Enamine Building Blocks |
| Boiling_Point | 191?/50mm | Alfa-Aesar |
| Boiling_Point | 191°/50mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 9.51e+00 g/l | DrugBank-experimental |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | DH4C_PSEPU; HAPMO_PSEFL; HMNGT_SORBI; HNLS_SORBI; NAMA_BACSU; UBIC_ECOLI | ChEBI |
| Patent Database Links | EP1284266; EP1422218; EP1574217; EP1707187; EP1707188; EP1994928; US2003070188; US2004010036; US2007142472; US2008033055; WO2005034857; WO2006014404; WO2006031674; WO2008144326 | ChEBI |
| 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 |
No pre-computed analogs available. Try a structural similarity search.