| Identification | More | [Name]
4-Bromo-2-hydroxybenzoic acid | [CAS]
1666-28-0 | [Synonyms]
4-BROMO-2-HYDROXYBENZOIC ACID
4-BROMOSALICYLIC ACID
4-Bromo-2-Hydroxybenzoic Acid 2-Hydroxy-4-Bromobenzoic Acid
2-Hydroxy-4-bromobenzoicacid
4-Bromo-2-hydroxybenzoic acid 98% | [EINECS(EC#)]
624-267-3 | [Molecular Formula]
C7H5BrO3 | [MDL Number]
MFCD06797970 | [Molecular Weight]
217.02 | [MOL File]
1666-28-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
164-165°C | [Boiling point ]
330.2±32.0 °C(Predicted) | [density ]
1.861±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
2.71±0.10(Predicted) | [InChI]
InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) | [InChIKey]
FYAKLZKQJDBBKW-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(Br)C=C1O | [CAS DataBase Reference]
1666-28-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
22-52/53 | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
2811 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
2918290090 |
| Hazard Information | Back Directory | [Chemical Properties]
4-Bromo-2-hydroxybenzoic acid is a solid at normal temperature and pressure. It is stable at normal temperature and decomposes into phenol and carbon dioxide after rapid heating. It has some acidic properties. | [Uses]
2-Hydroxy-4-bromobenzoic acid is used as an anti-scorch agent in drug molecules and rubber industry, as well as an intermediate in the production of ultraviolet absorbers and foaming agents. |
| Questions And Answer | Back Directory | [Structure]
4-Bromo-2-hydroxybenzoic acid is almost planar (r.m.s. deviation for the non-H atoms = 0.035??) and an intra-molecular O—H?O hydrogen bond closes an S(6) ring. The plane defined by the non-H atoms of the carboxyl group is twisted slightly by 4.8?(4)° to the mean plane of the phenyl ring. In the crystal, inversion dimers linked by pairs of O—H?O hydrogen bonds generate  (8) loops. Short Br?Br contacts [3.4442?(5)??] between the mol-ecules of the adjacent  (8) dimers leads to a one-dimensional architecture.
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