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CAS 1112-67-0 Tetrabutylammonium Chloride [Reagent for Ion-Pair Chromatography] molecular structure lightbox
CAS RN: 1112-67-0

Tetrabutylammonium Chloride [Reagent for Ion-Pair Chromatography]

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250427 1kg Out of stock Inquiry
Batchno.20250508 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250904 500g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-012053
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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: ≥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 1112-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry
1000g ≥98% 0 Out of Stock Hong Kong Inquiry

1112-67-0 / tetrabutylazanium chloride

Tetrabutylammonium chloride | Tetra-N-butylammonium chloride | 1-Butanaminium, N,N,N-tributyl-, chloride

Standard CAS: 1112-67-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1112-67-0
Multi CAS
Yes
Molecular Formula
C16H36ClN
Molecular Weight
277.900000
Exact Mass
277.253628
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
InChI
InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey
NHGXDBSUJJNIRV-UHFFFAOYSA-M
Synonyms
Tetrabutylammonium chloride Tetra-N-butylammonium chloride 1-Butanaminium, N,N,N-tributyl-, chloride DDT9H3MSD3 1-Butanaminium, N,N,N-tributyl-, chloride (1:1)

Physical Properties

Physical Description
Liquid White odorless crystals; Hygroscopic
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
79.36
TPSA
0.0000

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly 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)
-2.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (65.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (65.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (21.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302: Harmful if swallowed [Warning Acute toxicity, oral] H320: Causes eye irritation [Warning Serious eye damage/eye 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 P264, P264+P265, P270, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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