[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester
[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester (CAS: 749898-80-4), a deuterium-labeled n-channel organic semiconductor, is a functionalized fullerene derivative. Its empirical formula is C72D5H9O2 and it has a molecular weight of 915.91 g/mol. This material is primarily utilised as a spectroscopic reference, aiding in the study of the morphology of active layers within bulk-heterojunction organic electronic devices, particularly in the field of organic photovoltaics.
- IUPAC
- 1-[3-(Methoxycarbonyl)propyl]-1-pentadeuterophenyl-[6.6] C61,3′-(Phenyl-d5) 3′H-cyclopropyl[1,9] [5,6]fullerene-C60-Ih-3′-butanoic acid methyl ester,d5-PCBM
- Synonyms
- C72D5H9O21-[3-(Methoxycarbonyl)propyl]-1-pentadeuterophenyl-[6.6] C61,3′-(Phenyl-d5) 3′H-cyclopropyl[1,9] [5,6]fullerene-C60-Ih-3′-butanoic acid methyl ester,d5-PCBM
![[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester (C72D5H9O2) — chemical structure, CAS 749898-80-4; Materials Science, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F749898-80-4.png&w=3840&q=75)
Spectroscopic Reference Material
Utilised as a deuterium-labeled spectroscopic reference standard. Its purpose is to facilitate detailed studies of the morphology and structural characteristics of active layers in organic electronic devices.
Organic Photovoltaic (OPV) Research
Serves as a key component in the investigation of bulk-heterojunction organic electronic devices. Its application aids in understanding charge transport and morphology crucial for OPV performance.
Materials Science Research
A valuable nanomaterial for advanced materials science research. It contributes to the development and characterisation of novel organic semiconductors and carbon-based nanomaterials.
| Molecular weight | 915.91 |
|---|---|
| Empirical formula | C72D5H9O2 |
| Assay | 99.5% |
| Application | Deuterium-labeled n-channel organic semiconductor. Used as spectroscopic reference to study morphology of active layers in bulk-heterojunction organic electronic devices.1 |

Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
| Description | functionalized fullerene |
|---|---|
| Isotopic Purity | 99.5 atom % D |
| Mass Shift | M+5 |
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is [6,6]-Pentadeuterophenyl C61 butyric acid methyl ester used for?
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This compound is used as a deuterium-labeled n-channel organic semiconductor, primarily as a spectroscopic reference to study the morphology of active layers in bulk-heterojunction organic electronic devices, especially in organic photovoltaics.
What is the CAS number and formula for [6,6]-Pentadeuterophenyl C61 butyric acid methyl ester?
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The CAS number is 749898-80-4 and the empirical formula is C72D5H9O2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this product with an assay of 99.5% and an isotopic purity of 99.5 atom % D. TSS does not represent this product as USP, BP, or EP grade.
How should this chemical be handled safely?
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This compound is classified as a Warning. It causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Use appropriate personal protective equipment including a dust mask type N95 (US), eyeshields, and gloves. Ensure good ventilation.
Is this product available for export?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, and this product can be shipped worldwide.
How can I request a quote or sample?
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Please contact our sales team via our website or by phone to request a quote or a sample of [6,6]-Pentadeuterophenyl C61 butyric acid methyl ester.
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