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CAS 66270-36-8 2,2,2-TRICHLORO-1,1-DIMETHYLETHYL CHLOROFORMATE molecular structure lightbox
CAS RN: 66270-36-8

2,2,2-TRICHLORO-1,1-DIMETHYLETHYL CHLOROFORMATE

  • Product code: SSC-175909
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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: 10g
  • 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 66270-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

66270-36-8 / (1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate

Standard CAS: 66270-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66270-36-8
Multi CAS
No
Molecular Formula
C5H6CL4O2
Molecular Weight
239.900000
Exact Mass
239.909240
InChI
InChI=1S/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3
InChIKey
GMELMFSDPDSXOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.7
TPSA
26.3

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.69

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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