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phosphonic acid (C18H22NO5P) CAS#: 2922526-56-3
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name3-A phosphonic acid (C18H22NO5P)IUPAC Name4-(3,6-dimethoxycarbazol-9-yl)butylphosphonic acidMolecular StructureCAS Registry Number 2922526-56-3Synonyms(4-(3,6-dimethoxy-9h-carbazol-9-yl)butyl)phosphonic acid2922526-56-3phosphonic Acid978-553-0MeO-4PACZSCHEMBL26597789SCHEMBL30491695MFCD35130656H41609Molecular FormulaC18H22NO5PMolecular Weight363.3InChIInChI=1S/C18H22NO5P/c1-23-13-5-7-17-15(11-13)16-12-14(24-2)6-8-18(16)19(17)9-3-4-10-25(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22)InChI KeyBBYPIKLULJQUEH-UHFFFAOYSA-NSMILESCOC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCCCP(=O)(O)O

Patent InformationPatent IDTitlePublication DateCN116768935Preparation method of carbazole alkyl phosphate derivative2023

Physical Data

No data available

Spectra

phosphonic acid (C18H22NO5P) CAS#: 2922526-56-3 NMR

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)SignalWarningGHS Hazard StatementsH315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (33.3%): May cause respiratory irritation Precautionary Statement CodesP261, 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

Other Data

DruglikenessLipinski rules componentMolecular Weight363.35logP2.854HBA4HBD2Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)17.07Rotatable Bond (RotB)7Matching Veber Rules2

Use Pattern phosphonic acid (C18H22NO5P) CAS#: 2922526-56-3 is an OPV material https://www.chemwhat.com/4-36-dimethoxy-9h-carbazole-9-yl-butyl-phosphonic-acid-c18h22no5p-cas-2922526-56-3/

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