CAS No.: 50-32-8 — Benzo[a]pyrene (-)

1. Primary Information

English name:	Benzo[a]pyrene
CAS No.:	50-32-8
Molecular formula:	C₂₀H₁₂
Molecular weight:	252.3 g/mol
SMILES:	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
Structural class:
Other identifiers:	3,4 Benzopyrene 3,4 Benzpyrene 3,4-Benzopyrene 3,4-Benzpyrene Benzo(a)pyrene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	HPLC≥98%	480	2-8℃	in stock	-
Kehua Intelligence	2ml	100μg/ml in cyclohexane	208	2-8℃	in stock	-
Kehua Intelligence	2ml	1000μg/ml in methanol/methylbenzene	416	2-8℃	in stock	-
Kehua Intelligence	2ml	100μg/ml in methanol:methylbenzene(4:1)	208	2-8℃	in stock	-
Kehua Intelligence	2ml	100μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	2ml	1000μg/ml in methanol	416	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	120	2-8℃；避光	in stock	-
Kehua Intelligence	1.2ml	500μg/ml in acetonitrile	360	2-8℃；避光	in stock	-
Kehua Intelligence	50mg	BR，96%	140	2-8℃	in stock	-
Kehua Intelligence	100mg	BR，96%	272	2-8℃	in stock	-
Kehua Intelligence	500mg	BR，96%	776	2-8℃	in stock	-
Kehua Intelligence	1g	BR，96%	1400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 36 0 0 0 0 0 0 0999 V2000 0.3029 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 0.0550 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 0.8505 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 -1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4605 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1243 2.1658 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -2.5939 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 2.4294 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -2.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 1.6377 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 -0.7305 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 1.5235 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8267 -1.1413 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4645 0.5854 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4309 1.1802 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 -0.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -2.8706 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 3.0302 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4741 -3.6322 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 3.4656 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 -3.1639 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 2.6582 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 -1.5373 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 2.5851 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 -2.1832 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5310 0.7911 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 1.9595 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 -0.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 4 9 2 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 16 2 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 24 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 18 2 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

benzo[a]pyrene

4.2 InChI

InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

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)