CAS No.: 791-28-6 — Triphenylphosphine oxide (三苯基氧化膦)

1. Primary Information

English name:	Triphenylphosphine oxide
CAS No.:	791-28-6
Molecular formula:	C₁₈H₁₅OP
Molecular weight:	278.3 g/mol
SMILES:	C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structural class:
Other identifiers:	diphenylphosphine oxide triphenylphosphine oxide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	98%	464	RT	in stock	-
Kehua Intelligence	25g	AR，98%(HPLC)	19	RT	in stock	-
Kehua Intelligence	100g	AR，98%(HPLC)	28	RT	in stock	-
Kehua Intelligence	500g	AR，98%(HPLC)	105	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 37 0 0 0 0 0 0 0999 V2000 -0.0232 -0.0198 0.9094 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.0324 2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -0.4953 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -1.1487 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 1.6322 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 -1.1158 -0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 -0.8440 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 2.2795 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 -0.2505 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.2813 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 2.1969 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -1.4914 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8188 -1.7178 -1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 3.5582 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0035 -0.6262 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 -3.1551 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 3.4755 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -1.2467 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -2.8733 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 4.1561 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.3072 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 0.0380 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 1.8457 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 0.2361 2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 -2.5068 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 1.6697 1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 -1.9717 -2.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 -1.5010 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 4.0886 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 -0.4343 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -4.0557 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 3.9414 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 -1.5382 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -3.5545 -1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2316 5.1518 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 9 15 2 0 0 0 0 9 24 1 0 0 0 0 10 16 2 0 0 0 0 10 25 1 0 0 0 0 11 17 2 0 0 0 0 11 26 1 0 0 0 0 12 18 2 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 28 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

diphenylphosphorylbenzene

4.2 InChI

InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)