1-Chloro-9,10-bis(phenylethynyl)anthracene

Base Information

• Chemical Name: 1-Chloro-9,10-bis(phenylethynyl)anthracene
• CAS No.: 41105-35-5
• Molecular Formula: C30H17Cl
• Molecular Weight: 412.918
• Hs Code.: 29039990
• European Community (EC) Number: 255-220-1
• UNII: 8N4F8MJ2SL
• DSSTox Substance ID: DTXSID1068279
• Nikkaji Number: J236.268F
• Wikipedia: 1-Chloro-9,10-bis(phenylethynyl)anthracene
• Wikidata: Q4545771
• Mol file: 41105-35-5.mol

Synonyms:1-Chloro-9,10-bis(phenylethynyl)anthracene;41105-35-5;1-Chloro-BPEA;Anthracene, 1-chloro-9,10-bis(phenylethynyl)-;1-chloro-9,10-bis(2-phenylethynyl)anthracene;MFCD00012047;Anthracene, 9,10-bis(phenylethynyl)-1-chloro-;8N4F8MJ2SL;1-chloro-9,10-bis(phenylethynl)anthracene;Anthracene, 1-chloro-9,10-bis(2-phenylethynyl)-;EINECS 255-220-1;1-ChloroBPEA;CBPEA;1-chloro-9,10-bis(phenylethynl)anthracene (1-ChloroBPEA );C30H17Cl;9,10-Bis(phenylethynyl)-1-chloroanthracene;UNII-8N4F8MJ2SL;SCHEMBL432731;C30-H17-Cl;DTXSID1068279;IMMCAKJISYGPDQ-UHFFFAOYSA-;AC7703;AKOS004910149;SB66438;LS-15274;SY016015;C1289;CS-0010104;FT-0621589;1-Chloro-9,10-bis(phenylethynyl)anthracene #;3-(4-HYDROXYMETHYLPHENOXY)PROPIONICACID;1-Chloro-9,10-bis(phenylethynyl)anthracene, 97%;1-Chloro-9,10-bis(phenylethynyl)anthracene, 99%;A825434;J-650376;Q-200120;Q4545771;1-CHLORO-9,10-bis-(PHENYLETHYNYL)ANTHRACENE, 98%

Chemical Property of 1-Chloro-9,10-bis(phenylethynyl)anthracene

Chemical Property:

• Appearance/Colour: orange powder
• Vapor Pressure: 2.07E-15mmHg at 25°C
• Melting Point: 203-205 °C(lit.)
• Refractive Index: 1.757
• Boiling Point: 636.563 °C at 760 mmHg
• Flash Point: 331.908 °C
• PSA: 0.00000
• Density: 1.297 g/cm³
• LogP: 7.44600
• Storage Temp.: room temp
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 412.1018782
• Heavy Atom Count: 31
• Complexity: 727

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-9,10-bis(2-phenylethynyl)anthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
• Uses: 1-Chloro-9,10-bis(phenylethynyl)anthracene is a substituted polycyclic aromatic hydrocarbon. This reagent is used in chemiluminescence research. May discolor on exposure to light. Dyes and metabolites.

Technology Process of 1-Chloro-9,10-bis(phenylethynyl)anthracene

There total 4 articles about 1-Chloro-9,10-bis(phenylethynyl)anthracene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.0%

1-chloro-9,10-bis(phenylethynyl)-9,10-dihydroanthracene-9,10-diol (57659-76-4) → 1-Chloro-9,10-bis(phenylethynyl)anthracene (41105-35-5)

Guidance literature:

With tin(ll) chloride; In acetic acid;

Reference yield:

1-chloroanthracene-9,10-dione (82-44-0) → 1-Chloro-9,10-bis(phenylethynyl)anthracene (41105-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) lithium amide / 1.) dioxan, liquid ammonia, reflux, 2 h, 2.) dioxan, reflux, 16 h

2: 68 percent / SnCl₂ / acetic acid

With lithium amide; tin(ll) chloride; In acetic acid;

Reference yield:

1-chloroanthracene-9,10-dione (82-44-0) → 1-Chloro-9,10-bis(phenylethynyl)anthracene (41105-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) LiNH₂, dioxane, (ii) /BRN= 1912752/

2: SnCl₂*2H₂O, aq. AcOH / acetone / Ambient temperature

With acetic acid; tin(ll) chloride; In acetone;

upstream raw materials:

1-chloro-9,10-bis(phenylethynyl)-9,10-dihydroanthracene-9,10-diol

1-chloroanthracene-9,10-dione

Downstream raw materials:

1-Chlor-9,10-bis-(β-phenethyl)-anthracen