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CAS 4252-78-2 2,2′,4′-Trichloroacetophenone molecular structure lightbox
CAS RN: 4252-78-2

2,2′,4′-Trichloroacetophenone

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Guangdong, Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 1g In stock Shanghai Inquiry
  • Product code: SSC-150817
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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, 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 4252-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

4252-78-2 / 2-chloro-1-(2,4-dichlorophenyl)ethanone

Standard CAS: 4252-78-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4252-78-2
Multi CAS
No
Molecular Formula
C8H5CL3O
Molecular Weight
223.500000
Exact Mass
221.940598
InChI
InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey
VYWPPRLJNVHPEU-UHFFFAOYSA-N

Physical Properties

Melting Point
126 to 131 °F (NTP, 1992)
Physical Description
2,2',4'-trichloroacetophenone is an off-white crystalline solid. (NTP, 1992) Off-white crystalline solid; [CAMEO] Melting point = 52-55 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
51.51
TPSA
17.07

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
3.5
Consensus LogP
3.31
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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

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