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CAS 650-51-1 SODIUM TRICHLOROACETATE molecular structure lightbox
CAS RN: 650-51-1

SODIUM TRICHLOROACETATE

  • Product code: SSC-174658
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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: ≥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 650-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

650-51-1 / sodium 2,2,2-trichloroacetate

Standard CAS: 650-51-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
650-51-1
Multi CAS
Yes
Molecular Formula
C2CL3NAO2
Molecular Weight
185.360000
Exact Mass
183.886157
InChI
InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKey
SAQSTQBVENFSKT-UHFFFAOYSA-M

Physical Properties

Melting Point
Decomposes at 165-200 °C
Density
Relative density (water = 1): 0.9
Physical Description
Yellow deliquescent solid; [Merck Index] White to yellow hygroscopic solid; [ICSC] Off-white granules; HYGROSCOPIC WHITE-TO-YELLOW POWDER.
Appearance
Yellow powder Colorless salt
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
25.3
TPSA
40.13

LogP / Solubility

WLOGP
-2.89
MLOGP
-2.54
XLogP3
-2.89
Consensus LogP
-2.77
Log S (ESOL)
0.83
Class (ESOL)
Highly soluble
Log S (Ali)
1.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.53
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.9

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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