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CAS 1605274-62-1 4-(Pentafluorosulfanyl)phenyldiazonium Tetrafluoroborate molecular structure lightbox
CAS RN: 1605274-62-1

4-(Pentafluorosulfanyl)phenyldiazonium Tetrafluoroborate

  • Product code: SSC-068442
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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 1605274-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1605274-62-1 / 4-(pentafluoro-lambda6-sulfanyl)benzenediazonium tetrafluoroborate

Standard CAS: 1605274-62-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1605274-62-1
Multi CAS
No
Molecular Formula
C6H4BF9N2S
Molecular Weight
317.980000
Exact Mass
318.004453
SMILES
[B-](F)(F)(F)F.C1=CC(=CC=C1[N+]#N)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H4F5N2S.BF4/c7-14(8,9,10,11)6-3-1-5(13-12)2-4-6;2-1(3,4)5/h1-4H;/q+1;-1
InChIKey
GDZYRTFIIVPIBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.77
TPSA
28.15

LogP / Solubility

WLOGP
6.13
MLOGP
5.41
XLogP3
6.13
Consensus LogP
5.89
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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