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

Basic Information

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CAS Number

41105-35-5

Molecular Formula

C30H17Cl

Molecular Weight

412.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

203-205 °C

Boiling Point

495.25°C (rough estimate)

Flash Point

331.9℃

Refractive Index

1.6281 (estimate)

SMILES

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C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl

InChI

InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H

InChIKey

IMMCAKJISYGPDQ-UHFFFAOYSA-N

LogP

7.44600

Complexity

727

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

UNII-8N4F8MJ2SL
Q4545771
Q-200120
J-650376
1-ChloroBPEA;CBPEA ;1-chloro-9,10-bis(phenylethynl)anthracene (1-ChloroBPEA )
1-Chloro-9,10-bis(phenylethynyl)anthracene, 97%
SCHEMBL432731
NS00030923
1-Chloro-9,10-bis(phenylethynyl)anthracene
IMMCAKJISYGPDQ-UHFFFAOYSA-
SY016015
AC7703
1-Chloro-9,10-bis(phenylethynyl)anthracene, 99%
CS-0010104
IMMCAKJISYGPDQ-UHFFFAOYSA-N
FT-0621589
A825434
1-Chloro-9,10-bis(phenylethynyl)anthracene #
Anthracene, 9,10-bis(phenylethynyl)-1-chloro-
8N4F8MJ2SL
41105-35-5
1-Chloro-BPEA
EINECS 255-220-1
SB66438
1-chloro-9,10-bis(2-phenylethynyl)anthracene
C1289
9,10-Bis(phenylethynyl)-1-chloroanthracene
Anthracene, 1-chloro-9,10-bis(phenylethynyl)-
InChI=1/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H
AKOS004910149
1-chloro-9,10-bis(phenylethynl)anthracene

MDL Number

MFCD00012047

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5)?

1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5) is a crystalline solid with a molecular weight of approximately 519.23 g/mol. It is poorly soluble in water but soluble in organic solvents such as chloroform and benzene. The compound is highly reactive towards nucleophiles and can undergo electrophilic substitution reactions. It has a melting point of about 120-125°C.

How is 1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5) typically synthesized?

1-Chloro-9,10-bis(phenylethynyl)anthracene is typically synthesized via an ethynylation reaction of anthracene using phenylethynes in the presence of a suitable catalyst such as palladium(II) acetate. The reaction proceeds with good selectivity and yield, depending on the reaction conditions and catalyst choice.

What industries use 1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5)?

1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5) finds applications in the pharmaceutical industry for organic synthesis, in semiconductor industries for doping materials, and in polymer industries for improving electronic properties of polymers. It is also used in sensor applications where its unique electronic properties are leveraged.

What precautions should be taken when handling 1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5)?

When handling 1-Chloro-9,10-bis(phenylethynyl)anthracene (CAS: 41105-35-5), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to its potential toxicity. Spills should be cleaned up using appropriate absorbent materials and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for more detailed information on handling and storage.