| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4-(hydroxymethyl)benzoic acid 4-(hydroxymethyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13380-84-2 , 3006-96-0 , 96937-45-0 , [3006-96-0]
"4-Hydroxymethylbenzoic acid, 98%"
4-(Hydroxymethyl)benzoic acid, 98+%
4-(HYDROXYMETHYL)BENZOIC ACID; [3006-96-0]
4-CARBOXYBENZYL-ALCOHOL; 4-carboxybenzyl alcohol
4-Hydroxy -Methyl Benzoic Acid [3006-96-0]; (HMBA linker)
4-Hydroxymethyl-cyclohexanecarboxylic acid
4-Hydroxymethylbenzoic acid, 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) | 1.19 | 1.44 | -52.55 | 1 | 3 | -1 | 60 | 151.141 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 179-183? | Alfa-Aesar |
| Melting_Point | 179-183° | Alfa-Aesar |
| Mp [°C] | 182 - 184 | Acros Organics |
| MP | 182-185 °C(lit.) | Indofine |
| MP | 183 | TCI |
| MP | 199 - 201 | Enamine Building Blocks |
| MP | 199...201 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 98% min | APIChem |
| 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 |
| 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 wate | 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.