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1-Chloro-9,10-bis(phenylethynyl)anthracene - 97%, high purity , CAS No.41105-35-5

COA

Grade & Purity:

≥97%

Cas Number: 41105-35-5
Molecular Weight: 412.91
EC Number: 255-220-1
MDL number: MFCD00012047
PubChem CID: 170465
PubChem SID: 488188446

In stock

Item Number

C107845

Grouped product items
SKU	Size	Availability	Price
C107845-1g	1g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$35.90
C107845-5g	5g	2	$158.90
C107845-10g	10g	6	$176.90
C107845-25g	25g	3	$397.90
C107845-100g	100g	1	$1,431.90

View related series

anthraquinones (58) Small molecule semiconductor block (414)

Basic Description

Synonyms	CBPEA \| 1-chloro-9,10-bis(2-phenylethynyl)anthracene \| 1-Chloro-9,10-bis(phenylethynyl)anthracene \| 9,10-Bis(phenylethynyl)-1-chloroanthracene \| 1-Chloro-BPEA \| EINECS 255-220-1 \| IMMCAKJISYGPDQ-UHFFFAOYSA- \| IMMCAKJISYGPDQ-UHFFFAOYSA-N \| MFCD00012047 \| D
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Anthracenes
Alternative Parents	Chloronaphthalenes Benzene and substituted derivatives Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Anthracene - Chloronaphthalene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488188446
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188446
IUPAC Name	1-chloro-9,10-bis(2-phenylethynyl)anthracene
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
Smiles	C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
Isomeric SMILES	C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
WGK Germany	3
Molecular Weight	412.91
Reaxy-Rn	2178718
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2178718&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
E1822070	Certificate of Analysis	Jul 09, 2025	C107845
E1822069	Certificate of Analysis	Jul 09, 2025	C107845
C2321025	Certificate of Analysis	Jun 17, 2025	C107845
I2216090	Certificate of Analysis	Jun 12, 2024	C107845
I2216085	Certificate of Analysis	Jun 12, 2024	C107845
I2216081	Certificate of Analysis	Jun 12, 2024	C107845
H1510252	Certificate of Analysis	Jan 05, 2023	C107845
I2219090	Certificate of Analysis	Jul 27, 2022	C107845

Chemical and Physical Properties

Sensitivity	Light Sensitive
Melt Point(°C)	203-205°C
Molecular Weight	412.900 g/mol
XLogP3	9.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	412.102 Da
Monoisotopic Mass	412.102 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	727.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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