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CAS 121309-88-4 Benzyltrimethylammonium Tetrachloroiodate [Chlorinating Reagent] molecular structure lightbox
CAS RN: 121309-88-4

Benzyltrimethylammonium Tetrachloroiodate [Chlorinating Reagent]

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 1g In stock Inquiry
Batchno.20251117 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250419 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260405 25g In stock Shanghai Inquiry
Batchno.20250106 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-023221
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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: 5g
  • 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 121309-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

121309-88-4 / Benzyltrimethylammonium Tetrachloroiodate [Chlorinating Reagent]

Benzyltrimethylammonium Tetrachloroiodate [Chlorinating Reagent] | Benzyltrimethylammonium Tetrachloroiodate (Chlorinating Reagent) | RefChem:567002

Standard CAS: 121309-88-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121309-88-4
Multi CAS
Yes
Molecular Formula
C10H16Cl4IN
Molecular Weight
419.000000
Exact Mass
418.905210
SMILES
C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl
InChI
InChI=1S/C10H16N.Cl4I/c1-11(2,3)9-10-7-5-4-6-8-10;1-5(2,3)4/h4-8H,9H2,1-3H3;/q+1;-1
InChIKey
IBXYFQYYVRYALP-UHFFFAOYSA-N
Synonyms
Benzyltrimethylammonium Tetrachloroiodate [Chlorinating Reagent] Benzyltrimethylammonium Tetrachloroiodate (Chlorinating Reagent) RefChem:567002 628-960-1 Benzyltrimethylammonium tetrachloroiodate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
71.59
TPSA
0.0000

LogP / Solubility

WLOGP
1.65
MLOGP
1.48
XLogP3
1.65
Consensus LogP
1.59
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4
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)
-4.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): 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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