Basic information
- CAS
1533-45-5- Standard SMILES
C(=Cc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2nc3ccccc3o2)cc1- InChIKey
ORACIQIJMCYPHQ-UHFFFAOYSA-N- Molecular formula
- C28H18N2O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.13682782
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,4'-Bis(2-benzoxazolyl)stilbene
- IUPAC
- 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
- English name
- Optical brightener OB-1
- Molecular formula
- C28H18N2O2
- Molecular weight
- 414.45
Names & synonyms
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
Show more names
OB-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
Database identifiers
- CAS
1533-45-5- PubChem CID
- 73744
- DTXSID
DTXSID4051744
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 583
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 533.34 °C · 533.34°C (rough estimate)
- Density
- 1.2151 · 1.2151 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly, Heated)
- form
- Solid
- pka
- 1.45 · 1.45±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 36/37/38
Chemistry & industry
Uses & manufacturing
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
Applications
DescriptionOptical 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.
Uses4,4′-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).
General Description4,4′-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.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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