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CAS 811-96-1 chlorodifluoroacetaldehyde molecular structure lightbox
CAS RN: 811-96-1

chlorodifluoroacetaldehyde

  • Product code: SSC-189657
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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: 1g
  • 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 811-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

811-96-1 / 2-chloro-2,2-difluoroacetaldehyde

Standard CAS: 811-96-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
811-96-1
Multi CAS
Yes
Molecular Formula
C2HCLF2O
Molecular Weight
114.480000
Exact Mass
113.968399
InChI
InChI=1S/C2HClF2O/c3-2(4,5)1-6/h1H
InChIKey
PRGCVNDIGVIGBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
16.86
TPSA
17.07

LogP / Solubility

WLOGP
1.02
MLOGP
0.88
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.7

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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