2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일
2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일 · 2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일(2,2'-(1,2-ETHANEDIYLDI-4,1-P... · 플루오레센트브라이트너393 · OB-1 · 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole · Fluorescent Brightener OB-1 · C.I.393 · Optical Brighter OB-1
식별자 및 물리적 특성
| CAS No. | 1533-45-5 |
|---|---|
| 분자식 | C28H18N2O2 |
| 평균 분자량 | 414.5 g/mol |
| 단동위원소 질량 | 414.13682782 g/mol |
| SMILES | C(=Cc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2nc3ccccc3o2)cc1 |
| InChIKey | ORACIQIJMCYPHQ-UHFFFAOYSA-N |
| PubChem CID | 73744 |
| EC No. | 216-245-3 |
| DTXSID | DTXSID4051744 |
| 현지명 | 2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일 |
화학 및 물리적 성질
| XLogP | 7.2 |
|---|---|
| 극성 표면적 | 52.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 32 |
| 형식 전하 | 0 |
| 복잡도 | 583 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry Powder |
| 녹는점 | >300 °C(lit.) |
| 끓는 점 | 533.34°C (rough estimate) |
| 밀도 | 1.2151 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.5800 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 가열됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 1.45±0.10(Predicted) |
| 색상 | 노란색 |
| 생물학적 소스 | goat |
| 용해도 | 10μg/L at 25℃ |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 색소 |
| InChI | 1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+ |
| InChIKey | ORACIQIJMCYPHQ-KTKRTIGZSA-N |
| SMILES | c1ccc2oc(nc2c1)-c3ccc(\C=C\c4ccc(cc4)-c5nc6ccccc6o5)cc3 |
| LogP(분배 계수) | 5.499 at 25℃ |
| EPA | Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis- (1533-45-5) |
화학적 성질
solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 44.6% (145 of 325) of reports.WarningH315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 325 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis-Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole (EC: 216-245-3)Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (14.2%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39-24/25 |
| 기존화학 물질 | KE-35360 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Optical brightener OB-1 also called fluorescent brightener OB-1, optical brightener agent OB-1, OB-1 has the highest melting point among the optical brighteners and is also the most widely applicable and the most sold brightener. Optical brighteners OB-1 have two appearance colors, yellow and green. Worldwide use it for all kinds of plastics, or make masterbatches, then the optical brightener masterbatches and compounds are used in the plastics industry.
용도
4,4′-Bis(2-benzoxazolyl)stilbene (BBS) is suitable for use in the preparation of poly(propylene) (PP) films containing different concentrations of BBS. BBS may be employed as a viscosity-sensitive fluorophore to investigate the curing parameters in fabrication of UV-cured automotive organic protective coatings. BBS may be used in the preparation of polymeric film sensors based on excimer luminescence and responsive to both mechanical and temperature stress, by its dispersion into a thermoplastic aliphatic biodegradable polyester [poly(1,4-butylene succinate).
일반 설명
4,4′-Bis(2-benzoxazolyl)stilbene (BBS) is reported to exhibit consistently high absolute fluorescence quantum yields and a monoexponential lifetime in solutions. The photophysics of BBS dispersed in poly(propylene) (PP) films has been investigated. BBS is reported as a food-grade dye. BBS is also reported as excimer-forming, photoluminescent chromophore.