MeO-2PACz ([2-(3,6-Dimethoxy-9H-carbazol-9-yl)ethyl]phosphonic Acid), ≥98%

Cat No:BMSPEM-0039

Description

MeO-2PACz is a carbazole phosphonic acid designed to anchor onto oxide surfaces through its phosphonic acid group and present a methoxy-substituted carbazole outward, forming a self-assembled monolayer that extracts holes efficiently while blocking electrons. Two methoxy donors raise the HOMO level and improve wetting of the perovskite precursor solution on top of it, which is why this molecule became a standard hole-selective contact in high-efficiency inverted perovskite cells and in textured silicon tandem devices. It melts at 171°C and is sensitive to both light and air, so it belongs in a dark, argon-flushed vial. Minimum assay is 98%.

Datasheet

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Basic Information

Chemical Formula	C16H18NO5P
Molecular Weight	335.3 g/mol
Storage Conditions	Room temperature, under argon.
Purity	≥98%
Primary Application	Hole-selective self-assembled monolayer for inverted perovskite solar cells and perovskite-silicon tandem devices; interfacial modifier for metal oxide contacts.
EC Number	878-594-3
English Synonyms	2-(3,6-dimethoxycarbazol-9-yl)ethylphosphonic acid; (2-(3,6-Dimethoxy-9H-carbazol-9-yl)ethyl)phosphonic acid
Molecular Type	Small molecule
Melting Point	171 °C
Sensitivity	Light sensitive and air sensitive.
PubChem SID	488203081
IUPAC Name	2-(3,6-dimethoxycarbazol-9-yl)ethylphosphonic acid
InChI	1S/C16H18NO5P/c1-21-11-3-5-15-13(9-11)14-10-12(22-2)4-6-16(14)17(15)7-8-23(18,19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20)
InChI Key	XIOYECJFQJFYLM-UHFFFAOYSA-N
SMILES	COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCP(=O)(O)O
Isomeric SMILES	COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCP(=O)(O)O
Reaxys RN	39311780
GHS Pictograms	GHS07
Signal Word	Warning
Hazard Statements	H315: Causes skin irritation. H319: Causes serious eye irritation.
Precautionary Statements	P264: Wash thoroughly after handling. P280: Wear protective gloves, protective clothing, eye protection and face protection. P362: Take off contaminated clothing and wash before reuse. P302+P352: IF ON SKIN: Wash with plenty of water. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention.
Available Package Sizes	25 mg, 100 mg, 500 mg
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	335.092 Da
Monoisotopic Mass	335.092 Da
Topological Polar Surface Area	80.900 Å²
Heavy Atom Count	23
Complexity	428.000
Covalently Bonded Unit Count	1

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