Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
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
식별자 및 물리적 특성
| CAS No. | 89-55-4 |
|---|---|
| 분자식 | C7H5BrO3 |
| 평균 분자량 | 217.02 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 160 |
| 녹는점 | 159-162 °C (lit.) |
| 끓는 점 | 338.1±32.0 °C(Predicted) |
| 밀도 | 1.7097 (rough estimate) |
| 굴절률 | 1.4560 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | pK1:2.61 (25°C) |
| 색상 | 흰색에서 약간 베이지색 |
| 용해도 | 녹는 |
| 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 |
| NIST | 5-Bromosalicylic acid(89-55-4) |
| EPA | Benzoic acid, 5-bromo-2-hydroxy- (89-55-4) |
화학적 성질
WHITE TO SLIGHTLY BEIGE POWDER
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | VO1850000 |
| 관세 코드 | 29182900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37/39-26-36 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
5-Bromosalicylic acid may be employed as a starting reagent for the synthesis of honokiol, a biphenyl-type neolignan.
일반 설명
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.