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[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester

CAS 749898-80-4C72D5H9O2Organic & Printed Electronics

[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
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[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester (C72D5H9O2) — chemical structure, CAS 749898-80-4; Materials Science, fine chemical supplied by Tech Serve Solutions
Acceptor MaterialsCarbon NanomaterialsFullerenesMaterials ScienceNanomaterials
01 /Applications

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.

02 /Properties
Molecular weight915.91
Empirical formulaC72D5H9O2
Assay99.5%
ApplicationDeuterium-labeled n-channel organic semiconductor. Used as spectroscopic reference to study morphology of active layers in bulk-heterojunction organic electronic devices.1
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

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 equipmentdust 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.

04 /Identifiers & registry
CAS number
749898-80-4
05 /Additional specifications
Descriptionfunctionalized fullerene
Isotopic Purity99.5 atom % D
Mass ShiftM+5
06 /Quality & supply

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.

07 /Frequently asked questions

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.

Need [6,6]-Pentadeuterophenyl C61 butyric acid methyl ester in a specific grade or volume?