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CAS 252004-45-8 4-CHLORO-2,6-DIFLUOROBENZALDEHYDE molecular structure lightbox
CAS RN: 252004-45-8

4-CHLORO-2,6-DIFLUOROBENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 100mg In stock Inquiry
Batchno.20260517 1g In stock Inquiry
Batchno.20260225 250mg In stock Inquiry
Batchno.20250305 25g In stock Inquiry
Batchno.20260110 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 5g / 10g / 25g / 50g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-120928
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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: 5g
  • 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 252004-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

252004-45-8 / 4-chloro-2,6-difluorobenzaldehyde

Standard CAS: 252004-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252004-45-8
Multi CAS
No
Molecular Formula
C7H3ClF2O
Molecular Weight
176.550000
Exact Mass
175.984049
SMILES
C1=C(C=C(C(=C1F)C=O)F)Cl
InChI
InChI=1S/C7H3ClF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey
GTTVSBCPMJQRSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.76
TPSA
17.07

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.07

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

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