3,5-Dihydroxybenzaldehyde
yde · 3,5-DihydroxybenzaL · Terbutaline Impurity 43 · ALPHA-RESORCYLIC ALDEHYDE · 3,5-DIHYDROXYBENZALDEHYDE · 3,5-DIHYDOXYBENZAL DEHYDE · 3,5-2-hydroxybenzaldehyde · Benzaldehyde, 3,5-dihydroxy-
식별자 및 물리적 특성
| CAS No. | 26153-38-8 |
|---|---|
| 분자식 | C7H6O3 |
| 평균 분자량 | 138.12 g/mol |
| 단동위원소 질량 | 138.03169405 g/mol |
| SMILES | O=Cc1cc(O)cc(O)c1 |
| InChIKey | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| PubChem CID | 94365 |
| ChEBI | CHEBI:50204 |
| EC No. | 247-479-4 |
| DTXSID | DTXSID60180776 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 114 |
| 녹는점 | 153-158 °C (lit.) |
| 끓는 점 | 324.3±12.0 °C(Predicted) |
| 밀도 | 1.409±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 에탄올과 디에틸 에테르에 용해됩니다. |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 8.73±0.10(Predicted) |
| 색상 | 흰색에서 황갈색, 회색까지 |
| BRN | 1930147 |
| InChI | InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H |
| InChIKey | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(O)=CC(O)=C1 |
| LogP(분배 계수) | 0.973 (est) |
화학적 성질
White to tan to grey crystalline powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29124990 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26 |
| 위험 등급 | IRRITANT, AIR SENSITIVE |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
3,5-Dihydroxybenzaldehyde is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.
용도
3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of:fulgide73,5-bis(undeca-4,6-diynyloxy)benzaldehyde3,5-didodecyloxybenzaldehyde1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)
일반 설명
Condensation of isopropyl ethers of p-hydroxyphenyl acetic acid and 3,5-dihydroxybenzaldehyde has been reported.