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CAS 26675-46-7 1-Chloro-2,2,2-trifluoroethyl Difluoromethyl Ether molecular structure lightbox
CAS RN: 26675-46-7

1-Chloro-2,2,2-trifluoroethyl Difluoromethyl Ether

  • Product code: SSC-124783
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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: ≥95%
  • 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 26675-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

26675-46-7 / 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane

Standard CAS: 26675-46-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26675-46-7
Multi CAS
No
Molecular Formula
C3H2ClF5O
Molecular Weight
184.490000
Exact Mass
183.971433
SMILES
C(C(F)(F)F)(OC(F)F)Cl
InChI
InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey
PIWKPBJCKXDKJR-UHFFFAOYSA-N

Physical Properties

Melting Point
48-48.5
Boiling Point
48.5 °C 49 °C 119.3 °F
Density
Specific gravity: 1.45 Relative density (water = 1): 1.5 1.45
Physical Description
Clear colorless liquid with a mild odor; [Merck Index] Musty ethereal odor; Liquid COLOURLESS LIQUID. Colorless liquid
Appearance
Clear, colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
22.79
TPSA
9.23

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.17

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
2

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