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CAS 1813-60-1 Tetrabutylphosphonium Tetrafluoroborate molecular structure lightbox
CAS RN: 1813-60-1

Tetrabutylphosphonium Tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100g In stock Inquiry
Batchno.20260227 1g In stock Inquiry
Batchno.20251205 25g In stock Inquiry
Batchno.20250908 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 100g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251128 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260309 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251219 5g In stock Shanghai Inquiry
  • Product code: SSC-082441
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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: 25g
  • 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 1813-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

1813-60-1 / tetrabutylphosphanium tetrafluoroborate

Standard CAS: 1813-60-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1813-60-1
Multi CAS
No
Molecular Formula
C16H36BF4P
Molecular Weight
346.200000
Exact Mass
346.258381
SMILES
[B-](F)(F)(F)F.CCCC[P+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C16H36P.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
InChIKey
BYCHYJSDSHOWIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
96.21
TPSA
0.0000

LogP / Solubility

WLOGP
7.5
MLOGP
6.62
XLogP3
7.5
Consensus LogP
7.21
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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