| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: 4-Bromomandelic acid 4-Bromomandelic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123484-90-2 , 32189-34-7 , 6940-50-7 , 7021-04-7 , [6940-50-7]
(2R)-2-(4-bromophenyl)-2-hydroxyacetic acid
(2R)-2-(4-bromophenyl)-2-hydroxyacetic acid >99%ee
(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid
(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid >99%ee
(4-bromophenyl)(hydroxy)acetic acid
2-(4-bromophenyl)-2-hydroxyacetic acid
2-(4-Bromophenyl)-2-hydroxyaceticacid
| 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) | 1.18 | 3.26 | -42.57 | 1 | 3 | -1 | 60 | 230.037 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 113-115° | Oakwood Chemical |
| Mp [°C] | 115 - 120 | Acros Organics |
| Melting_Point | 115-119? | Alfa-Aesar |
| Melting_Point | 115-119° | Alfa-Aesar |
| MP | 116 | TCI |
| MP | 116 - 118 | Enamine Building Blocks |
| MP | 116-118° | Matrix Scientific |
| MP | 116...118 | Enamine Building Blocks |
| MP | 118 - 120 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0005779A2; EP0623120A1; EP0667246A1; US3985738; US4112228; US4172196; US4218380; US4297489; US5589277; US5683793; US5757408; US6162417; WO1993014077A1; WO2000001692A1; WO2000024249A2 | IBM Patent Data |
| 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 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 |
| Purity | ¡Ý99% | APIChem |
