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CAS 140681-55-6 N-Fluoro-N’-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) molecular structure lightbox
CAS RN: 140681-55-6

N-Fluoro-N’-(chloromethyl)triethylenediamine Bis(tetrafluoroborate)

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 100g In stock Inquiry
Batchno.20250718 25g In stock Inquiry
Batchno.20251206 500g In stock Inquiry
Batchno.20250824 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250703 25g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250820 500g In stock Shanghai, Shandong Inquiry
Batchno.20250402 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-051222
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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, 100g, 500g, 1000g
  • 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 140681-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry
1000g >97% 0 Out of Stock Shanghai Inquiry

140681-55-6 / 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate

Standard CAS: 140681-55-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
140681-55-6
Multi CAS
No
Molecular Formula
C7H14B2ClF9N2
Molecular Weight
354.300000
Exact Mass
354.088790
SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
InChI
InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1
InChIKey
TXRPHPUGYLSHCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
11
Molar refractivity
61.92
TPSA
0.0000

LogP / Solubility

WLOGP
3.33
MLOGP
2.95
XLogP3
3.33
Consensus LogP
3.2
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Flammable
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H252 (58.2%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 P235, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P407, P410, P413, P420, and P501

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