CAS 2706-90-3 Nonafluorovaleric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] molecular structure

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CAS RN: 2706-90-3

Nonafluorovaleric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS]

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251130	100g	In stock	Shanghai, Wuhan	Inquiry
Batchno.20260322	1g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry
Batchno.20250129	1kg	In stock	Shanghai	Inquiry
Batchno.20250724	25g	In stock	Shanghai, Tianjin, Wuhan	Inquiry
Batchno.20251226	500g	In stock	Shanghai	Inquiry
Batchno.20250205	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry

Product code: SSC-125752

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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: ＞98%
Inventory rows with stock: 6
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 2706-90-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞98%	5 In Stock	Shenzhen	Inquiry
5g	＞98%	4 In Stock	Hong Kong	Inquiry
10g	＞98%	4 In Stock	Shenzhen	Inquiry
25g	＞98%	4 In Stock	Shenzhen	Inquiry
100g	＞98%	3 In Stock	Shanghai	Inquiry
500g	＞98%	1 In Stock	Shenzhen	Inquiry

2706-90-3 / 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid

Standard CAS: 2706-90-3 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

2706-90-3

Multi CAS

Molecular Formula

C5HF9O2

Molecular Weight

264.050000

Exact Mass

263.983283

SMILES

C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)

InChIKey

CXZGQIAOTKWCDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.8

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

28.53

TPSA

37.3

LogP / Solubility

WLOGP

2.54

MLOGP

2.24

XLogP3

2.9

Consensus LogP

2.56

Log S (ESOL)

-2.88

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.56

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.84

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)

-2.53

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

Applications of CAS 2706-90-3

This compound is commonly used in analytical chemistry and reference standard applications, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 2706-90-3 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid

Safety Information (GHS)

Pictogram(s): GHS05, GHS08. Signal word: Danger.

H314 (98.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]

Precautionary statements: P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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. 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.