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CAS 15074-54-1 2-Chlorophenyl Phosphorodichloridate [Phosphorylating Agent] molecular structure lightbox
CAS RN: 15074-54-1

2-Chlorophenyl Phosphorodichloridate [Phosphorylating Agent]

  • Product code: SSC-060668
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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: ≥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 15074-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

15074-54-1 / 1-chloro-2-dichlorophosphoryloxybenzene

Standard CAS: 15074-54-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15074-54-1
Multi CAS
No
Molecular Formula
C6H4Cl3O2P
Molecular Weight
245.400000
Exact Mass
243.901449
SMILES
C1=CC=C(C(=C1)OP(=O)(Cl)Cl)Cl
InChI
InChI=1S/C6H4Cl3O2P/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H
InChIKey
VLDPXPPHXDGHEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.39
TPSA
26.3

LogP / Solubility

WLOGP
4.3
MLOGP
3.79
XLogP3
3.6
Consensus LogP
3.9
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.16

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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