CAS 454-89-7 3-(Trifluoromethyl)benzaldehyde molecular structure

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CAS RN: 454-89-7

3-(Trifluoromethyl)benzaldehyde

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260508	1g / 5g / 25g / 100g / 500g	Confirm by inquiry	Shanghai, Shandong, Hebei, Guangdong	Inquiry

Product code: SSC-153144

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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: 10g, 25g, 5g, 100g, 500g
Available purity: >97%
Inventory rows with stock: 3
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 454-89-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10g	>97%	2 In Stock	Shenzhen	Inquiry
25g	>97%	2 In Stock	Beijing	Inquiry
5g	>97%	1 In Stock	Shenzhen	Inquiry
100g	>97%	0 Out of Stock	Shenzhen	Inquiry
500g	>97%	0 Out of Stock	Hong Kong	Inquiry

454-89-7 / 3-(trifluoromethyl)benzaldehyde

Standard CAS: 454-89-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

454-89-7

Multi CAS

Yes

Molecular Formula

C8F3H5O

Molecular Weight

174.120000

Exact Mass

174.029249

InChI

InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H

InChIKey

NMTUHPSKJJYGML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

Molar refractivity

36.83

TPSA

17.07

LogP / Solubility

WLOGP

2.52

MLOGP

2.21

XLogP3

2.5

Consensus LogP

2.41

Log S (ESOL)

-2.81

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.81

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3

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)

-1.99

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 454-89-7

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 454-89-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

3-(trifluoromethyl)benzaldehyde

Safety Information (GHS)

Pictogram(s): GHS07, GHS09. Signal word: Warning.

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (82.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary statements: P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, 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: Store under inert gas. Avoid: Air 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.