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CAS 192-97-2 Benzo[e]pyrene molecular structure lightbox
CAS RN: 192-97-2

Benzo[e]pyrene

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 10mg Out of stock Inquiry
Batchno.20260529 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-089901
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 192-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

192-97-2 / benzo[e]pyrene

Standard CAS: 192-97-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
192-97-2
Multi CAS
No
Molecular Formula
C20H12
Molecular Weight
252.300000
Exact Mass
252.093900
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4
InChI
InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
InChIKey
TXVHTIQJNYSSKO-UHFFFAOYSA-N

Physical Properties

Melting Point
352 to 354 °F (NTP, 1992) 178-179 °C
Boiling Point
918 °F at 760 mmHg (NTP, 1992) 492 °C at 76- mm Hg BP: 250 °C at 3-4 mm Hg (sublimes)
Physical Description
Benzo[e]pyrene appears as colorless crystals or white crystalline solid. (NTP, 1992) Insoluble in water (0.0063 mg/L at 25 deg C; [ChemIDplus] Fine, slightly yellow crystals; Insoluble in water
Appearance
Prisms or plates from benzene Pale yellow needles (from benzene or methanol) Colorless crystals or white crystalline solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992) You should protect this material from exposure to light, and store it in a refrigerator.

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
6.4
Consensus LogP
5.73
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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H350: May cause cancer [Danger Carcinogenicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H350 (100%): May cause cancer [Danger Carcinogenicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

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