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CAS 18583-55-6 (2-Chlorobenzyl)triphenylphosphonium Chloride molecular structure lightbox
CAS RN: 18583-55-6

(2-Chlorobenzyl)triphenylphosphonium Chloride

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250629 100g In stock Inquiry
Batchno.20260604 1g In stock Inquiry
Batchno.20250212 25g Out of stock Inquiry
Batchno.20250314 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai, Chongqing Inquiry
  • Product code: SSC-086052
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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: 25g
  • Available purity: ＞97%
  • 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 18583-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

18583-55-6 / (2-chlorophenyl)methyl-triphenylphosphanium chloride

Standard CAS: 18583-55-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18583-55-6
Multi CAS
No
Molecular Formula
C25H21Cl2P
Molecular Weight
423.300000
Exact Mass
422.075793
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
InChI
InChI=1S/C25H21ClP.ClH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
VRAAQIWOSHYDHE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
120.3
TPSA
0.0000

LogP / Solubility

WLOGP
2.84
MLOGP
2.52
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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