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CAS 50594-82-6 3,4,5-Trichlorobenzotrifluoride molecular structure lightbox
CAS RN: 50594-82-6

3,4,5-Trichlorobenzotrifluoride

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260427 100g In stock Inquiry
Batchno.20250604 1g In stock Inquiry
Batchno.20251123 25g In stock Inquiry
Batchno.20260401 500g In stock Inquiry
Batchno.20250418 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260110 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-157180
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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: 100g
  • Available purity: ≥98%
  • 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 50594-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

50594-82-6 / 1,2,3-trichloro-5-(trifluoromethyl)benzene

Standard CAS: 50594-82-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50594-82-6
Multi CAS
Yes
Molecular Formula
C7H2CL3F3
Molecular Weight
249.400000
Exact Mass
247.917418
InChI
InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey
FBKFIAIRSQOXJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
46.47
TPSA
0.0000

LogP / Solubility

WLOGP
4.67
MLOGP
4.11
XLogP3
4.7
Consensus LogP
4.49
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-0.93

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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