CAS No.: 77-09-8 — Phenolphthalein (酚酞)

1. Primary Information

English name:	Phenolphthalein
CAS No.:	77-09-8
Molecular formula:	C₂₀H₁₄O₄
Molecular weight:	318.3 g/mol
SMILES:	C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structural class:
Other identifiers:	Ap-La-Day Ex-Lax Feen-A-Mint Laxatone Laxettes

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	HPLC≥98%	400	RT	in stock	-
Kehua Intelligence	25g	IND	14	RT	in stock	-
Kehua Intelligence	100g	IND	40	RT	in stock	-
Kehua Intelligence	500g	IND	144	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 41 0 0 0 0 0 0 0999 V2000 0.0681 -0.6796 1.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -2.6912 2.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 2.6214 -0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 3.1224 -0.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.1860 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 -1.4870 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 0.5706 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 0.7058 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.5480 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -2.0407 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -1.7366 -1.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 1.6478 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 1.3655 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 0.1850 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 0.8614 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -3.8691 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 -3.0612 -2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -4.1214 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 2.3365 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 2.1772 -1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 0.8736 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 1.6731 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.9494 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 2.3310 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 -0.9351 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 1.9627 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 1.2764 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 -0.6456 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 0.3652 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -4.6838 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -3.2721 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -5.1442 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 3.1733 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 2.6874 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 0.5617 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 1.7887 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 2.2202 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 3.4974 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 23 1 0 0 0 0 3 37 1 0 0 0 0 4 24 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 14 21 2 0 0 0 0 14 28 1 0 0 0 0 15 22 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

4.2 InChI

InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

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)