3-(Triphenylphosphonio)propane-1-sulfonate

Catalog Number

ACM116154224

CAS

116154-22-4

Structure

Description

3-(Triphenylphosphonio)propane-1-sulfonate is a zwitterionic, sulfonic acid-functionalized ionic liquid. It has been used as a zwitterion to study its effect on the work function of indium tin oxide (ITO) in inverted polymer solar cells (PSCs).

Synonyms

3-(Triphenylphosphonio)propane-1-sulfonate, 116154-22-4, 53166_ALDRICH, 53166_FLUKA, CTK8E4262, AKOS015903855, I14-17906

IUPAC Name

3-triphenylphosphaniumylpropane-1-sulfonate

Molecular Weight

384.43

Molecular Formula

Linear Formula [CH3(CH2)5]3P[N(CN)2](CH2)13CH3

Canonical SMILES

C1=CC=C(C=C1)[P+](CCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3

InChI

1S/C21H21O3PS/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2

InChI Key

CHVFGCXPLGAAQN-UHFFFAOYSA-N

Melting Point

54-59 °C

Flash Point

Not applicable

Purity

≥99.0%(HPLC)

Appearance

Solid

Storage

Store at room temperature

Exact Mass

384.09500

Hazard Statements

Xi: Irritant;

MDL Number

MFCD07784455

• Catalog Number: ACM116154224
• CAS: 116154-22-4
• Description: 3-(Triphenylphosphonio)propane-1-sulfonate is a zwitterionic, sulfonic acid-functionalized ionic liquid. It has been used as a zwitterion to study its effect on the work function of indium tin oxide (ITO) in inverted polymer solar cells (PSCs).
• Synonyms: 3-(Triphenylphosphonio)propane-1-sulfonate, 116154-22-4, 53166_ALDRICH, 53166_FLUKA, CTK8E4262, AKOS015903855, I14-17906
• IUPAC Name: 3-triphenylphosphaniumylpropane-1-sulfonate
• Molecular Weight: 384.43
• Molecular Formula: Linear Formula [CH3(CH2)5]3P[N(CN)2](CH2)13CH3
• Canonical SMILES: C1=CC=C(C=C1)[P+](CCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3
• InChI: 1S/C21H21O3PS/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
• InChI Key: CHVFGCXPLGAAQN-UHFFFAOYSA-N
• Melting Point: 54-59 °C
• Flash Point: Not applicable
• Purity: ≥99.0%(HPLC)
• Appearance: Solid
• Storage: Store at room temperature
• Exact Mass: 384.09500
• Hazard Statements: Xi: Irritant
• MDL Number: MFCD07784455