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CAS 13498-14-1 Diphosphoryl Chloride molecular structure lightbox
CAS RN: 13498-14-1

Diphosphoryl Chloride

  • Product code: SSC-042825
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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: 100g
  • 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 13498-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

13498-14-1 / Diphosphoryl Chloride

Standard CAS: 13498-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13498-14-1
Multi CAS
No
Molecular Formula
Cl4O3P2
Molecular Weight
251.800000
Exact Mass
251.804729
SMILES
O=P(OP(=O)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/Cl4O3P2/c1-8(2,5)7-9(3,4)6
InChIKey
CNTIXUGILVWVHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
39.71
TPSA
43.37

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
1.9
Consensus LogP
3.25
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

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
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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