HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromosalicylic acid
5-BROMO-2-HYDROXYBENZOIC ACID · 5-BromosaL · 5-Bromosalicyclic acid · 5-broMo-acid · AURORA KA-2535 · RARECHEM AL BO 0758 · 5-bromo-salicylicaci · 5-BROMOSALICYLIC ACID
Identifiers & Physical Properties
| CAS No. | 89-55-4 |
|---|---|
| Molecular formula | C7H5BrO3 |
| Average molar mass | 217.02 g/mol |
| Monoisotopic mass | 215.94221 g/mol |
| SMILES | O=C(O)c1cc(Br)ccc1O |
| InChIKey | IEJOONSLOGAXNO-UHFFFAOYSA-N |
| PubChem CID | 6972 |
| ChEMBL | CHEMBL3278558 |
| EC No. | 201-917-0 |
| DTXSID | DTXSID9058993 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 160 |
| Melting point | 159-162 °C (lit.) |
| Boiling point | 338.1±32.0 °C(Predicted) |
| Density | 1.7097 (rough estimate) |
| Refractive index | 1.4560 (estimate) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | Powder |
| pKa (acidity coefficient) | pK1:2.61 (25°C) |
| Color | White to slightly beige |
| Solubility | Soluble |
| BRN | 2209121 |
| InChI | InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) |
| InChIKey | IEJOONSLOGAXNO-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(Br)=CC=C1O |
| CAS DataBase Reference | 89-55-4(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 6907950MYK |
| NIST Chemistry Reference | 5-Bromosalicylic acid(89-55-4) |
| EPA Substance Registry System | Benzoic acid, 5-bromo-2-hydroxy- (89-55-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 37/39-26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | VO1850000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29182900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | VO1850000 |
| Customs code | 29182900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 37/39-26-36 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
5-Bromosalicylic Acid is a derivative of Salicylic Acid (S088125) and exhibits antiinflammatory activity.
Uses
5-Bromosalicylic acid may be employed as a starting reagent for the synthesis of honokiol, a biphenyl-type neolignan.
General Description
5-Bromosalicylic acid is a salicylic acid derivative. Its bonding to viscose fabric can impart antibacterial properties to the fabric. It has been identified as one of the brominated disinfection byproduct (Br-DBP) formed during the chlorination of saline sewage effluents.