세보플루란
세보플루란 · FLUOROMETHYL 1,1,1,3,3,3-HEXAFLUOROISOPROPYL ETHER · mr6s4 · Ultane · R-E 347 · Sevoness · Sevofrane · 347mmzEbg
식별자 및 물리적 특성
| CAS No. | 28523-86-6 |
|---|---|
| 분자식 | C4H3F7O |
| 평균 분자량 | 200.05 g/mol |
| 단동위원소 질량 | 200.00721185 g/mol |
| SMILES | FCOC(C(F)(F)F)C(F)(F)F |
| InChIKey | DFEYYRMXOJXZRJ-UHFFFAOYSA-N |
| PubChem CID | 5206 |
| ChEMBL | CHEMBL1200694 |
| ChEBI | CHEBI:9130 |
| EC No. | 643-089-7 |
| DTXSID | DTXSID8046614 |
| 현지명 | 세보플루란 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 121 |
| LogP(분배 계수) | 2.41.75 |
| 밀도 | 1505 at 25 °C/DRelative density of the vapour/air-mixture at 20 °C (air = 1): 1.11.505 |
| Color/Form | Liquid |
| 용해도 | Very slightly soluble1.48e+00 g/L물에 약간 용해되며 에탄올과 혼합 가능합니다(96%). |
| 끓는 점 | 58.558.1-58.2 °C at 751 mm Hg585.5 °C at 760 mm Hg58.5 °C58°C |
| 녹는점 | < 25 °C<25 °C |
| 증기압 | 157.0 [mmHg]VP: 200 torr at 25 °C160 torr193 mm Hg at 25 °CVapor pressure, kPa at 20 °C: 21 |
| Physical Description | A clear, nonflammable colorless liquid with a non-irritating odor[ACGIH TLVs and BEIs]SolidCOLOURLESS LIQUID. |
| Kovats Retention Index | 409498.1 |
| Other Experimental Properties | Partition coefficient at 37 °C: (blood/gas): 0.60(water/gas): 0.36(corn oil/gas): 41.6Hydroxyl radical reaction rate constant = 7.30X10-14 cu cm/molec-sec at 25 °C |
| 인화점 | 58°C |
| 저장 조건 | Refrigerator |
| 비중 | 1.505 |
| 색상 | 무색 |
| 용해도 | 물과 약간 섞임. |
| Merck | 14,8475 |
| BRN | 2041023 |
| 헨리 상수 | 5.2×10-5 mol/(m3Pa) at 25℃, HSDB (2015) |
| 주요 응용 | 의약품(소분자) |
| InChI | InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2 |
| InChIKey | DFEYYRMXOJXZRJ-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)C(OCF)C(F)(F)F |
| EPA | Propane,1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)- (28523-86-6) |
화학적 성질
Clear, colourless, volatile liquid.
안전 및 규제
| GHS 분류 | WarningH315 (44.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (45.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H336 (56.4%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposureNarcotic effects]H361 (53.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 94 reports by companies from 10 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. |
|---|---|
| 화재 위험 | Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 유해성 요약 | TLV Basis = CNS impairmentHuman data demonstrates sedation starting at 2,000 ppm. Epidemiologic studies provide inconsistent evidence regarding the role of sevoflurane in adverse health effects, including spontaneous abortion, congenital abnormalities, kidney and liver damage, genotoxicity, and developmental neurotoxicity. [ACGIH TLVs and BEIs] |
| FDA 요건 | Sevoflurane: ... For induction and maintenance of general anesthesia in dogs.The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including sevoflurane, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Sevoflurane is included on this list. |
| Chemical Dangers |
용도
개요
Sevoflurane is a rapidly acting, potent inhalation anesthetic with rapid uptake and and elimination. While somewhat less potent than halothane, sevoflurane does not induce arrhythmias and reportedly has no effect on renal function.
일반 설명
Sevoflurane is a volatile, nonpungent, nonflammable, andnonexplosive liquid with a boiling point of 58.6°C. Theblood:gas partition coefficient is 0.65, the oil:gas partitioncoefficient is 50, and the MAC is 2.1%. Sevoflurane reactswith desiccated carbon dioxide adsorbents, to produce compounds(A and B) with known toxicity . The typeof CO2 absorbent used, the temperature of the absorbent,and the duration of exposure can influence the degree towhich sevoflurane breaks down. The major breakdownproduct, compound A, pentafluoroisopropenyl fluoromethylether, (PIFE, C4H2F6O) has been studied extensively.Compound A is nephrotoxic in rats and nonhuman primatesand remains a theoretical risk to humans. As discussedpreviously under the stability of inhaled anesthetics,sevoflurane breakdown by CO2 absorbents generates heatand has resulted in sporadic operating room fires.