CAS 461-17-6 1,1,1-Trifluoro-4-iodobutane molecular structure

lightbox

CAS RN: 461-17-6

1,1,1-Trifluoro-4-iodobutane

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260509	200mg / 1g / 5g / 25g	Confirm by inquiry	Shanghai	Inquiry

Product code: SSC-153648

GET A QUOTE

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, 0.25g, 5g, 10g, 25g, 100g
Available purity: ≥97%
Inventory rows with stock: 2
Bulk packaging: confirmed by inquiry

Request Bulk Quote

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 461-17-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥97%	5 In Stock	Shanghai	Inquiry
0.25g	≥97%	2 In Stock	Shenzhen	Inquiry
5g	≥97%	0 Out of Stock	Beijing	Inquiry
10g	≥97%	0 Out of Stock	Shenzhen	Inquiry
25g	≥97%	0 Out of Stock	Shenzhen	Inquiry
100g	≥97%	0 Out of Stock	Shenzhen	Inquiry

461-17-6 / 1,1,1-trifluoro-4-iodobutane

Standard CAS: 461-17-6 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

461-17-6

Multi CAS

Molecular Formula

C4F3H6I

Molecular Weight

237.990000

Exact Mass

237.946630

InChI

InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2

InChIKey

LNDGACQEAYKNOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Rotatable bonds

H-bond acceptors

Molar refractivity

34.18

TPSA

0.0000

LogP / Solubility

WLOGP

2.76

MLOGP

2.44

XLogP3

3.3

Consensus LogP

2.83

Log S (ESOL)

-2.92

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.51

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.74

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.21

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 461-17-6

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 461-17-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

1,1,1-trifluoro-4-iodobutane

Safety Information (GHS)

Pictogram(s): GHS02, GHS07. Signal word: Warning.

H226 (12.5%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. Avoid: Light Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.