디하이드로벤조퓨란(2,3-)
2,3-다이하이드로벤조퓨란 · 디하이드로벤조퓨란(2,3-) · 2,3-디하이드로벤조푸란 · COUMARAN · Dihydrobenzofuran · Benzofuran,2,3-dihydro- · 2,3-Dihydro-1-benzofuran · Kumaran
식별자 및 물리적 특성
| CAS No. | 496-16-2 |
|---|---|
| 분자식 | C8H8O |
| 평균 분자량 | 120.15 g/mol |
| 단동위원소 질량 | 120.05751487 g/mol |
| SMILES | c1ccc2c(c1)CCO2 |
| InChIKey | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
| PubChem CID | 10329 |
| ChEMBL | CHEMBL370688 |
| ChEBI | CHEBI:87607 |
| EC No. | 207-817-3 |
| DTXSID | DTXSID2022040 |
| 현지명 | 디하이드로벤조퓨란(2,3-) |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 101 |
| LogP(분배 계수) | 2.14 |
| 끓는 점 | 188.00 to 189.00 °C. @ 760.00 mm Hg188-189 °C (lit.) |
| 녹는점 | -21.5 °C-21°C |
| Physical Description | Liquid |
| Kovats Retention Index | 118811871207119112231224121912111221121612371226175.323892359.8 |
| 밀도 | 1.065 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.549(lit.) |
| 인화점 | 152 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 알코올: 용해 가능 |
| 물리적 상태 | 투명한 액체 |
| 비중 | 1.065 |
| 색상 | Colorless to Yellow to Green |
| Merck | 14,2559 |
| BRN | 111928 |
| InChI | 1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 |
| InChIKey | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
| SMILES | C1Cc2ccccc2O1 |
| LogP(분배 계수) | 2.140 |
| NIST | Benzofuran, 2,3-dihydro-(496-16-2) |
| EPA | Coumaran (496-16-2) |
화학적 성질
Colorless to light yellow liqui
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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (99%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, 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 105 reports by companies from 2 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. |
|---|---|
| 규제 정보 | Status: Active Update: 18-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22839 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)Aquatic Chronic 3 (99%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29329995 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25-26 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2,3-dihydrobenzofuran is widely used in the synthesis of tricyclic compounds and is also an intermediate raw material for the synthesis of some important drugs. It is used in the synthesis of antitumor agents benzofuran sulfonylureas, HIV protease inhibitor amino acid hydroxyethylenesulfonyl, matrix metalloproteinase inhibitor aryl sulfinyl isoxime hydroxamic acid, etc.
일반 설명
Biotransformation of 2,3-dihydrobenzofuran using intact cells of Pseudomonas putida UV4 has been investigated. 2,3-Dihydrobenzofuran is the intermediate formed during catalytic hydrodeoxygenation of benzofuran.