9,10-Bis(phenylethynyl)anthracene
- Iupac Name：9,10-bis(2-phenylethynyl)anthracene
- CAS No.: 10075-85-1
- Molecular Weight：378.46392
- Modify Date.: 2022-11-10 14:56
- Introduction: 9,10-Bis(phenylethynyl)anthracene is known to exert fluorescence properties due to its polycyclic aromatic hydrocarbon system and it is commonly used as an scintillator additive. 9,10-Bis(phenylethynyl)anthracene was also studied extensively as a fluorescence emitters for peroxyoxalate chemiluminescence. 9,10-Bis(phenylethynyl)anthraceneSupplier
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1. Names and Identifiers
- 1.1 Name
- 9,10-Bis(phenylethynyl)anthracene
- 1.2 Synonyms
9,10-Bis(2-phenylethynyl)anthracene 9,10-Bis(phenethynyl)anthracene 9,10-Bis(phenyleth 9,10-BIS(PHENYLETHYNL)ANTHRACENE 9,10-bis(phenylethynyl)-anthracen 9,10-BIS(PHENYLETHYNYL)ANTHRACENE 9,10-bis(phenylthynyl)anthracene (yellow) BPEA 9,10-bis(phenylvinyl)anthracene Anthracene, 9,10-bis(2-phenylethynyl)- Anthracene, 9,10-bis(phenylethynyl)- BIS(9,10-)(PHENYLETHYNYL) ANTHRACENE BPEA BPEA (scintillator additive) Cyalume Green
- 1.3 CAS No.
- 10075-85-1
- 1.4 CID
- 82338
- 1.5 EINECS(EC#)
- 233-210-8
- 1.6 Molecular Formula
- C30H18 (isomer)
- 1.7 Inchi
- InChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H
- 1.8 InChIkey
- ZHBOFZNNPZNWGB-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
2. Properties
- 2.1 Density
- 1.23
- 2.1 Melting point
- 252-258℃
- 2.1 Boiling point
- 614.3 °C at 760 mmHg
- 2.1 Refractive index
- 1.753
- 2.1 Flash Point
- 325.6 °C
- 2.1 Precise Quality
- 378.14100
- 2.1 PSA
- 0.00000
- 2.1 logP
- 6.79260
- 2.1 Appearance
- orange crystal solid, no impurity
- 2.2 Storage
- Light Sensitive. Ambient temperatures.
- 2.3 Chemical Properties
- ORANGE CRYSTALLINE POWDER
- 2.4 Water Solubility
- It is insoluble in water but is soluble in most organic solvents such as carbon disulfide, alcohols, benzene, chloroform, and hydronaphthalenes.
- 2.5 Stability
- Stable at room temperature in closed containers under normal storage and handling conditions.
- 2.6 StorageTemp
- Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
3. Use and Manufacturing
- 3.1 Usage
- 9,10-Bis(phenylethynyl)anthracene is known to exert fluorescence properties due to its polycyclic aromatic hydrocarbon system and it is commonly used as an scintillator additive. 9,10-Bis(phenylethynyl)anthracene was also studied extensively as a fluorescence emitters for peroxyoxalate chemiluminescence. 9,10-Bis(phenylethynyl)anthraceneSupplier
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S26;S37/39
- 4.1 WGK Germany
- 3
- 4.1 Safety
-
Safty information about 9,10-Bis(phenylethynyl)anthracene (CAS NO.10075-85-1) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 8-10
- 4.2 Sensitive
- Light Sensitive
- 4.3 Specification
-
9,10-Bis(phenylethynyl)anthracene , its cas register number is 10075-85-1. It also can be called EINECS 233-210-8 ; Anthracene, 9,10-bis(2-phenylethynyl)- ; Anthracene, 9,10-bis(phenylethynyl)- .It is a orange crystalline powder.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin irritation, Category 2
Eye irritation, Category 2
Specific target organ toxicity \u2013 single exposure, Category 3
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. |
| Storage | P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
10075-85-1Total: 1 Synthesis Route
-
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 |
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Literatures:
Rio Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1949 , vol. 228, p. 690 Annales de Chimie (Cachan, France), 1954 , vol. <12> 9, p. 182,208, 212, 213
Yield: null
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8. Other Information
- 8.0 Usage
- 9,10-Bis(phenylethynyl)anthracene is used as a?chemiluminescent?fluorophore?with high?quantum efficiency. It is used in lightsticks as a fluorophor producing ghostly green light. It is also used as a dopant for organic semiconductors in OLEDs. It is used as a reagent for chemiluminescence research. 9,10-Bis(phenylethynyl)anthracene is known to exert fluorescence properties due to its polycyclic aromatic hydrocarbon system and it is commonly used as an scintillator additive. 9,10-Bis(phenylethynyl)anthracene was also studied extensively as a fluorescence emitters for peroxyoxalate chemiluminescence.
- 8.1 Merck
- 14,1299
- 8.2 BRN
- 1891432
- 8.3 Chemical Properties
- ORANGE CRYSTALLINE POWDER
- 8.4 Uses
- 9,10-Bis(phenylethynyl)anthracene is known to exert fluorescence properties due to its polycyclic aromatic hydrocarbon system and it is commonly used as an scintillator additive. 9,10-Bis(phenylethyny l)anthracene was also studied extensively as a fluorescence emitters for peroxyoxalate chemiluminescence.
9. Computational chemical data
- Molecular Weight: 378.46392g/mol
- Molecular Formula: C30H18
- Compound Is Canonicalized: True
- XLogP3-AA: 8.5
- Exact Mass: 378.140850574
- Monoisotopic Mass: 378.140850574
- Complexity: 605
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 0
- Heavy Atom Count: 30
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADACAGAAwAMAAAADAEiBCAAgCAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==
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