CAS No.: 218-01-9 — Chrysene (屈)

1. Primary Information

English name:	Chrysene
CAS No.:	218-01-9
Molecular formula:	C₁₈H₁₂
Molecular weight:	228.3 g/mol
SMILES:	C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Structural class:
Other identifiers:	chrysene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	312	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetone	624	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetonitrile	520	2-8℃	in stock	-
Kehua Intelligence	25mg	HPLC≥99%	262	2-8℃	in stock	-
Kehua Intelligence	250mg	97%	184	2-8℃	in stock	-
Kehua Intelligence	1g	97%	480	2-8℃	in stock	-
Kehua Intelligence	5g	97%	2080	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 33 0 0 0 0 0 0 0999 V2000 -0.4349 0.5647 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.5647 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 0.3903 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 -0.3903 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 -0.9189 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 0.9188 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 1.8390 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -1.8391 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.0142 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.0141 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 -1.1313 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 1.1313 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1921 1.2326 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1921 -1.2325 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6856 -0.0617 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 0.0616 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 2.7477 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 -2.7478 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 3.0294 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 -3.0294 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 2.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -2.4912 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2027 -2.1418 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2026 2.1417 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 2.0768 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8755 -2.0767 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7564 -0.2401 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 0.2401 -0.0011 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 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 12 2 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 9 2 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

chrysene

4.2 InChI

InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

4.3 InChIKey

WDECIBYCCFPHNR-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)