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CAS 7005-72-3 4-Chlorodiphenyl ether molecular structure lightbox
CAS RN: 7005-72-3

4-Chlorodiphenyl ether

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-179835
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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 7005-72-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

7005-72-3 / 1-chloro-4-phenoxybenzene

Standard CAS: 7005-72-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7005-72-3
Multi CAS
Yes
Molecular Formula
C12H9CLO
Molecular Weight
204.650000
Exact Mass
204.034193
InChI
InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
PGPNJCAMHOJTEF-UHFFFAOYSA-N

Physical Properties

Melting Point
-8 °C
Boiling Point
543 to 545 °F at 760 mmHg (NTP, 1992) 284-5 °C
Density
1.2026 at 59 °F (NTP, 1992) - Denser than water; will sink 1.2026 @ 15 °C
Physical Description
4-chlorophenyl phenyl ether appears as liquid. Density 1.193 g / cm3. Insoluble or slightly soluble in water. Liquid; [CAMEO] Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.97
TPSA
9.23

LogP / Solubility

WLOGP
4.13
MLOGP
3.64
XLogP3
4.3
Consensus LogP
4.02
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-1.03

Drug-likeness / Medicinal Chemistry

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

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