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CAS 20082-71-7 Pentafluorophenyldimethylchlorosilane [Pentafluorophenyldimethylsilylating Agent] molecular structure lightbox
CAS RN: 20082-71-7

Pentafluorophenyldimethylchlorosilane [Pentafluorophenyldimethylsilylating Agent]

  • Product code: SSC-094766
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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: 1ml
  • 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 20082-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1ml ≥95% 0 Out of Stock Hong Kong Inquiry

20082-71-7 / chloro-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

Standard CAS: 20082-71-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20082-71-7
Multi CAS
No
Molecular Formula
C8H6ClF5Si
Molecular Weight
260.660000
Exact Mass
259.984745
SMILES
C[Si](C)(C1=C(C(=C(C(=C1F)F)F)F)F)Cl
InChI
InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3
InChIKey
PQRFRTCWNCVQHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.2
TPSA
0.0000

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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