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CAS 114971-52-7 Benzyltrimethylammonium Dichloroiodate molecular structure lightbox
CAS RN: 114971-52-7

Benzyltrimethylammonium Dichloroiodate

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 25g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260421 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250409 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251119 1kg In stock Shanghai, Chengdu Inquiry
Batchno.20250525 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260410 500g In stock Shanghai, Chengdu Inquiry
Batchno.20250330 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-014662
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114971-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 3 In Stock Hong Kong Inquiry
100g ≥95% 3 In Stock Shanghai Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

114971-52-7 / Benzyltrimethylammonium Dichloroiodate

Benzyltrimethylammonium dichloroiodate | RefChem:566997 | 601-338-7

Standard CAS: 114971-52-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114971-52-7
Multi CAS
Yes
Molecular Formula
C10H16Cl2IN
Molecular Weight
348.050000
Exact Mass
346.970450
SMILES
C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
InChI
InChI=1S/C10H16N.Cl2I/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1
InChIKey
PPDJNZTUDFPAHX-UHFFFAOYSA-N
Synonyms
Benzyltrimethylammonium dichloroiodate RefChem:566997 601-338-7 Benzyltrimethylammonium dichloroiodide BTMA-ICl2

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
59.88
TPSA
0.0000

LogP / Solubility

WLOGP
0.28
MLOGP
0.26
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-4.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.8%): 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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