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CAS 13685-26-2 Chlorobis(4-chlorophenyl)phosphine, 98+% molecular structure lightbox
CAS RN: 13685-26-2

Chlorobis(4-chlorophenyl)phosphine, 98+%

  • Product code: SSC-046055
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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: ≥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 13685-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

13685-26-2 / chloro-bis(4-chlorophenyl)phosphane

Standard CAS: 13685-26-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13685-26-2
Multi CAS
No
Molecular Formula
C12H8Cl3P
Molecular Weight
289.500000
Exact Mass
287.942920
SMILES
C1=CC(=CC=C1P(C2=CC=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl3P/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
InChIKey
UISLTICQIVPVGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
74.95
TPSA
0.0000

LogP / Solubility

WLOGP
4.58
MLOGP
4.04
XLogP3
5.1
Consensus LogP
4.57
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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