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CAS 118612-00-3 N,N-Dimethylanilinium Tetrakis(pentafluorophenyl)borate molecular structure lightbox
CAS RN: 118612-00-3

N,N-Dimethylanilinium Tetrakis(pentafluorophenyl)borate

Product Availability

Choose a grade to view its available package options.

13 package records9 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 100mg Out of stock Inquiry
Batchno.20260620 1g In stock Inquiry
Batchno.20260603 250mg In stock Inquiry
Batchno.20250531 500mg Out of stock Inquiry
Batchno.20250607 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260425 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250711 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250214 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250805 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong 8-10 business days Inquiry
Batchno.20250814 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250406 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 250mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250128 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-018465
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥98%
  • 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 118612-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

118612-00-3 / dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate | dimethylanilinium tetrakis(pentafluorophenyl)borate | n,n-dimethylanilinium tetra(pentafluorophenyl)borate

Standard CAS: 118612-00-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118612-00-3
Multi CAS
Yes
Molecular Formula
C32H12BF20N
Molecular Weight
801.200000
Exact Mass
801.074343
SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C[NH+](C)C1=CC=CC=C1
InChI
InChI=1S/C24BF20.C8H11N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1
InChIKey
BRHZQNMGSKUUMN-UHFFFAOYSA-O
Synonyms
N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate dimethylanilinium tetrakis(pentafluorophenyl)borate n,n-dimethylanilinium tetra(pentafluorophenyl)borate UNII-H8R86L92ND N,N-Dimethylanilinium tetrakis(pentafluorophenyl)borate(1-)

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
21
H-bond donors
1
Molar refractivity
148.13
TPSA
4.44

LogP / Solubility

WLOGP
6.31
MLOGP
5.62
XLogP3
6.31
Consensus LogP
6.08
Log S (ESOL)
-8.86
Class (ESOL)
Insoluble
Log S (Ali)
-10.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H315: Causes skin irritation [Warning Skin corrosion/irritation] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H351: Suspected of causing cancer [Warning Carcinogenicity] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501 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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