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CAS 218-01-9 Benzo[a]phenanthrene (purified by sublimation) molecular structure lightbox
CAS RN: 218-01-9

Benzo[a]phenanthrene (purified by sublimation)

Product Availability

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9 package records5 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 100mg Out of stock Inquiry
Batchno.20251110 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251126 1g Out of stock Inquiry
Batchno.20260701 250mg Out of stock Inquiry
Batchno.20260106 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 2ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 1ml In stock Shanghai, Shandong Inquiry
  • Product code: SSC-105173
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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: 1g
  • Available purity: ≥98%
  • 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 218-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

218-01-9 / chrysene

Standard CAS: 218-01-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
218-01-9
Multi CAS
No
Molecular Formula
C18H12
Molecular Weight
228.300000
Exact Mass
228.093900
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
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
InChIKey
WDECIBYCCFPHNR-UHFFFAOYSA-N

Physical Properties

Melting Point
489 °F (NTP, 1992) 255 °C Chrysene forms crystalline complexes with picric acid (orange-red needles from benzene, melting-point 174-175 °C corrected), s-trinitrobenzene (188.5-189.5 °C corrected) and 2,4,7-trinitrofluorenone (yellow needles from alcohol, melting point 247.8-249 °C) 254 - 256 °C 489 °F
Boiling Point
838 °F at 760 mmHg (NTP, 1992) 448 °C 838 °F
Density
1.274 at 68 °F (NTP, 1992) - Denser than water; will sink 1.274 g/cu cm at 20 °C 1.3 g/cm³ 1.274
Physical Description
Chrysene appears as a crystalline solid. Denser than water and insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Toxic by ingestion. Used to make other chemicals. Crystals derived from distillation of coal tar; [Hawley] COLOURLESS-TO-BEIGE CRYSTALS OR POWDER. Crystalline solid.
Appearance
Red blue fluorescent orthorhombic plates from benzene, acetic acid Orthorhombic bipyramidal plates from benzene Colorless platelets with blue fluorescence
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
Molar refractivity
78.96
TPSA
0.0000

LogP / Solubility

WLOGP
5.15
MLOGP
4.53
XLogP3
5.7
Consensus LogP
5.13
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-0.46

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

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