Description

(4-(3,6-Dimethyl-9H-carbazol-9-yl)butyl)phosphonic acid (CAS No. 2747959-96-0) is a high-purity organic compound with the molecular formula C₁₈H₂₂NO₃P. This phosphonic acid derivative features a carbazole core substituted with methyl groups at the 3- and 6-positions, coupled with a butylphosphonic acid side chain. Its unique structure makes it a valuable building block for organic electronics, including perovskite solar cells (PSCs) and organic light-emitting diodes (OLEDs). The compound is supplied as a fine powder or crystalline solid with ≥98% purity (HPLC), ensuring optimal performance in research and industrial applications. Store in a cool, dry place, protected from light and moisture to maintain stability.

Properties

• CAS Number: 2747959-96-0
• Complexity: 426
• IUPAC Name: 4-(3,6-dimethylcarbazol-9-yl)butylphosphonic acid
• InChI: InChI=1S/C18H22NO3P/c1-13-5-7-17-15(11-13)16-12-14(2)6-8-18(16)19(17)9-3-4-10-23(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22)
• InChI Key: ZNLXWYZMMYDGCE-UHFFFAOYSA-N
• Exact Mass: 331.13373056
• Molecular Formula: C18H22NO3P
• Molecular Weight: 331.3
• SMILES: CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)CCCCP(=O)(O)O
• Topological: 62.5
• Monoisotopic Mass: 331.13373056
• Synonyms: (4-(3,6-Dimethyl-9H-carbazol-9-yl)butyl)phosphonic acid, [4-(3,6-dimethyl-9h-carbazol-9-yl)butyl]phosphonic acid, 954-313-0, Me-4PACz, 2747959-96-0, SCHEMBL25186781, FD183062, M3359, H37562

Application

This compound is widely used as an interfacial modifier in perovskite solar cells (PSCs) to enhance hole transport and device efficiency. Its phosphonic acid group enables strong binding to metal oxide substrates, improving charge extraction. Researchers also employ it as a dopant or additive in organic semiconductors for OLEDs and OFETs due to its electron-donating carbazole moiety. Additionally, it serves as a key precursor for synthesizing advanced functional materials in optoelectronic research.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.