Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylate
3-Cps · Brn 0278285 · Einecs 243-498-7 · 3-Carbethoxypsoralen. · 3-Ethoxycarbonylpsoralen · 3-Carbethoxypsoralen|||3-Ethoxycarbonylpsoralen · ethyl 7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxylate · FURO(3,2-GBENZOPYRAN-6-CARBOXYLICACID,7-OXO-,ETHYLESTER
식별자 및 물리적 특성
| CAS No. | 20073-24-9 |
|---|---|
| 분자식 | C14H10O5 |
| 평균 분자량 | 258.23 g/mol |
| 단동위원소 질량 | 258.05282342 g/mol |
| SMILES | CCOC(=O)c1cc2cc3ccoc3cc2oc1=O |
| InChIKey | CFQAMEDTKHNQTP-UHFFFAOYSA-N |
| PubChem CID | 62739 |
| ChEBI | CHEBI:50100 |
| EC No. | 243-498-7 |
| DTXSID | DTXSID2074875 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 65.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 428 |
| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992)DMSO에 용해됨 |
| Physical Description | 3-carbethoxypsoralen is a yellow powder. (NTP, 1992) |
| 녹는점 | 148-149 °C |
| 끓는 점 | 437.3±45.0 °C(Predicted) |
| 밀도 | 1.387±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at -20°C |
| 물리적 상태 | Solid |
| 색상 | White to yellow |
| EPA | 3-Carbethoxypsoralen (20073-24-9) |
안전 및 규제
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
|---|---|
| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Profile | 3-CARBETHOXYPSORALEN is sensitive to exposure to light. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| Carcinogen Classification | 3-CarbethoxypsoralenGroup 3: Not classifiable as to its carcinogenicity to humansVolume 40: (1986) Some Naturally Occurring and Synthetic Food Components, Furocoumarins and Ultraviolet Radiation1987 |
용도
일반 설명
Yellow powder.