CAS RN: 50-32-8
3,4-Benzopyrene (purified by sublimation)
Product Availability
Choose a grade to view its available package options.
16 package records15 with current stock7 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 50mg / 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260428 | 2ml | In stock | Inquiry |
- Product code: SSC-156259
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
50-32-8 / benzo[a]pyrene
Basic Information
CAS
50-32-8
Multi CAS
No
Molecular Formula
C20H12
Molecular Weight
252.300000
Exact Mass
252.093900
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
InChIKey
FMMWHPNWAFZXNH-UHFFFAOYSA-N
Physical Properties
Melting Point
349.7 to 351.5 °F (NTP, 1992)
179 °C
178.1 °C
3497-3515 °F
Boiling Point
887 °F at 760 mmHg (NTP, 1992)
BP: 310-312 °C at 10 mm Hg
Boiling point: > 360 °C at 760 mm Hg
496 °C
5612 °F
Density
greater than 1 (NTP, 1992)
1.351
Density (at 20 °C): 1.4 g/cm³
>1
Physical Description
Benzo[a]pyrene appears as a liquid. Presents a threat to the environment. Immediate steps should be taken to limits its spread to the environment. Easily penetrates the soil and contaminates groundwater or nearby waterways.
Yellowish solid; Practically insoluble in water; [Merck Index] Yellow crystals; Insoluble in water;
PALE YELLOW CRYSTALS.
Odorless, silver-gray to black solid.
Appearance
Pale yellow monoclinic needles from benzene and methanol
Yellowish plates, needles from benzene + methanol; crystals may be monoclinic or orthorhombic
Yellowish plates (from benzene and ligroin)
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
20
Molar refractivity
87.65
TPSA
0.0000
LogP / Solubility
WLOGP
5.74
MLOGP
5.06
XLogP3
6
Consensus LogP
5.6
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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