기본 정보
- CAS
1533-45-5- 표준 SMILES
C(=Cc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2nc3ccccc3o2)cc1- InChIKey
ORACIQIJMCYPHQ-UHFFFAOYSA-N- 분자식
- C28H18N2O2
- 평균 분자량
- 414.5 g/mol
- 단동위원소 질량
- 414.13682782
개요
structure in first source
이름 및 식별자
- 우선 이름
- 4,4'-Bis(2-benzoxazolyl)stilbene
- IUPAC
- 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
- 현지명
- 2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일
- 영어명
- Optical brightener OB-1
- 분자식
- C28H18N2O2
- 분자량
- 414.45
이름 및 동의어
1533-45-54,4'-Bis(2-benzoxazolyl)stilbeneDTXSID4051744Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis-RefChem:506551DTXCID00302991,2-Bis(4-(benzo[d]oxazol-2-yl)phenyl)etheneC28H18N2O2OPTICAL BRIGHTENER 1DTXSID10892019CS-W011665AC-10112
이름 더 보기
2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일2,2'-(1,2-에탄딜디-4,1-페닐렌)비스벤조옥사조일(2,2'-(1,2-ETHANEDIYLDI-4,1-P...플루오레센트브라이트너393OB-12,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazoleFluorescent Brightener OB-1C.I.393Optical Brighter OB-1OB-C
4,4'-Bis(1,3-benzoxazol-2-yl)stilbene4,4'-BIS(2-BENZOXAZOLYL)STILBENE, TRANS-Optical Brightener OB-1Q27251389SCHEMBL231012SCHEMBL29405696ORACIQIJMCYPHQ-UHFFFAOYSA-N4,4'-bis(2-benzoxazolyl) stilbene
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 52.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 583
실험 및 물리화학적 성질
Endocrine DisruptorsPotential 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 DescriptionDry Powder
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 끓는 점
- 533.34 °C · 533.34°C (rough estimate)
- 밀도
- 1.2151 · 1.2151 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.58 · 1.5800 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 가열됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 1.45 · 1.45±0.10(Predicted)
- 색상
- 노란색
- 생물학적 소스
- goat
- 수용성
- 10 μg/L · 10μg/L at 25℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 44.6% (145 of 325) of reports.
Warning
H315 (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.
유해성 정보
Regulatory Information
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 CategoriesSkin Irrit. 2 (14.2%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- 기존화학 물질
- KE-35360
화학 및 산업
용도 및 제조
U.S. Production2023: <25,000 lb
Consumer UsesBrightener
Industry UsesAntioxidant
General Manufacturing Information
Adhesive Manufacturing
Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis-: ACTIVE
응용 분야
개요Optical 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.
용도4,4′-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 설명4,4′-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.
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