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Home> Encyclopedia >Pharmaceutical>Pharmaceutical Intermediates>Organic Intermediate
9,10-Bis(phenylethynyl)anthracene structure
9,10-Bis(phenylethynyl)anthracene structure

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 View more+
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: IrritantXi
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

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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11. Realated Product Infomation