CAS No.: 82-05-3 — Benzanthrone (苯并蒽酮)

1. Primary Information

English name:	Benzanthrone
CAS No.:	82-05-3
Molecular formula:	C₁₇H₁₀O
Molecular weight:	230.26 g/mol
SMILES:	C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O
Structural class:
Other identifiers:	benzanthrone benzanthrone, dilithium salt (-2)

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	120	RT	in stock	-
Kehua Intelligence	25g	98%(溶剂法生产，产品中有小黑点，不影响使用)	40	RT	in stock	-
Kehua Intelligence	100g	98%(溶剂法生产，产品中有小黑点，不影响使用)	108	RT	in stock	-
Kehua Intelligence	500g	98%(溶剂法生产，产品中有小黑点，不影响使用)	376	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 31 0 0 0 0 0 0 0999 V2000 0.9059 -2.8906 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.1171 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.1090 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7861 -1.2586 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 0.6944 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6955 -0.6733 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 0.4957 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 -1.6981 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 2.4599 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 -2.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 1.8501 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -0.4865 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 1.6101 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -1.1025 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8142 2.8256 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1303 -1.8393 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 1.1855 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 -0.1696 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2557 3.2691 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 -3.2901 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8447 2.1597 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5097 -0.2052 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 2.6833 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -2.1590 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0895 3.8764 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 -2.5889 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 1.9200 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 -0.4988 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 9 2 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 14 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

benzo[a]phenalen-7-one

4.2 InChI

InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H

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)