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CAS 4136-95-2 2,4,6-Trichlorobenzoyl Chloride molecular structure lightbox
CAS RN: 4136-95-2

2,4,6-Trichlorobenzoyl Chloride

  • Product code: SSC-149810
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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 4136-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

4136-95-2 / 2,4,6-trichlorobenzoyl chloride

Standard CAS: 4136-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4136-95-2
Multi CAS
No
Molecular Formula
C7H2CL4O
Molecular Weight
243.900000
Exact Mass
243.883025
InChI
InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKey
OZGSEIVTQLXWRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.66
TPSA
17.07

LogP / Solubility

WLOGP
4.03
MLOGP
3.55
XLogP3
4.3
Consensus LogP
3.96
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
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)
-1.35

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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