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3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione - 98%, high purity , CAS No.1000623-98-2

COA

Grade & Purity:

≥98%

Cas Number: 1000623-98-2
Molecular Weight: 907
PubChem CID: 57997016
PubChem SID: 488201894

In stock

Item Number

B165329

Grouped product items
SKU	Size	Availability	Price
B165329-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
B165329-100mg	100mg	6	$46.90
B165329-500mg	500mg	6	$180.90
B165329-1g	1g	3	$324.90

Basic Description

Synonyms	1000623-98-2 \| 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-C]pyrrole-1,4(2H,5H)-dione \| MFCD28098664 \| 1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione \| Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromo-2-thienyl)
Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal
Product Description	Product Describtion: 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione (DDP-Br2) belongs to the series of diketopyrrolopyrrole (DPP) based materials which show hole or ambipolar transport behavior with mobilities of charge carriers in the range of 0.1-1 cm2V-1 s-1. It has an electron deficient core that forms a low LUMO energy level which facilitates better air-stability for n-type organic semiconductors. Product Application: DDP-Br2 can be used in the fabrication of a variety of opto-electronic devices such as organic field effect transistors (OFETs), perovskite based solar cells, non-fullerene organic solar cells. Novel acceptors utilized in low band gap polymer cells and showed optical bandgaps ranging from 1.81 to 1.94 eV and intense absorption bands that cover a wide range from 300 to 700 nm

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass 2,5-disubstituted thiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	2,5-disubstituted thiophenes
Intermediate Tree Nodes	Not available
Direct Parent	2,5-disubstituted thiophenes
Alternative Parents	Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Pyrrolines Heteroaromatic compounds Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrroline - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
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	488201894
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201894
IUPAC Name	1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
INCHI	InChI=1S/C46H70Br2N2O2S2/c1-5-9-13-17-19-23-27-35(25-21-15-11-7-3)33-49-43(37-29-31-39(47)53-37)41-42(45(49)51)44(38-30-32-40(48)54-38)50(46(41)52)34-36(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-32,35-36H,5-28,33-34H2,1-4H3
InChIKey	MNALLGNMYJQSHP-UHFFFAOYSA-N
Smiles	CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br
Isomeric SMILES	CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br
Molecular Weight	907
Reaxy-Rn	15611698
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15611698&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
I2411558	Certificate of Analysis	Apr 27, 2024	B165329
D2303529	Certificate of Analysis	Feb 02, 2023	B165329
D2303530	Certificate of Analysis	Feb 02, 2023	B165329
D2303526	Certificate of Analysis	Feb 02, 2023	B165329
D2303531	Certificate of Analysis	Feb 02, 2023	B165329
D2303527	Certificate of Analysis	Feb 02, 2023	B165329
D2303528	Certificate of Analysis	Feb 02, 2023	B165329

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	907.000 g/mol
XLogP3	18.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	30
Exact Mass	906.322 Da
Monoisotopic Mass	904.325 Da
Topological Polar Surface Area	97.100 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1100.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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