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CAS 72-54-8 2,2-Bis(4-chlorophenyl)-1,1-dichloroethane molecular structure lightbox
CAS RN: 72-54-8

2,2-Bis(4-chlorophenyl)-1,1-dichloroethane

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 1g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 1g In stock Inquiry
Batchno.20250923 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 1.2ml In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 1.2ml In stock Shanghai Inquiry
  • Product code: SSC-181530
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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: ≥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 72-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

72-54-8 / 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene

Standard CAS: 72-54-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
72-54-8
Multi CAS
Yes
Molecular Formula
C14H10CL4
Molecular Weight
320.000000
Exact Mass
319.950711
InChI
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKey
AHJKRLASYNVKDZ-UHFFFAOYSA-N

Physical Properties

Melting Point
228 to 230 °F (NTP, 1992) 109-110 °C
Boiling Point
379 °F at 760 mmHg (NTP, 1992) 193 °C at 1 mm Hg
Density
1.385 (NTP, 1992) - Denser than water; will sink Specific gravity: 1.476 at 20 °C (solid)
Physical Description
Dichlorodiphenyldichloroethane appears as a colorless crystalline solid. Insoluble in water and sinks in water. Toxic by inhalation, skin absorption or ingestion. Used as a pesticide. Colorless to white solid; [HSDB]
Appearance
Crystalline solid from petroleum ether White solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
Molar refractivity
80.24
TPSA
0.0000

LogP / Solubility

WLOGP
5.93
MLOGP
5.23
XLogP3
6.2
Consensus LogP
5.79
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.46

Drug-likeness / Medicinal Chemistry

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

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