CAS 1114808-87-5 2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE molecular structure

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CAS RN: 1114808-87-5

2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260224	1g	In stock	Shanghai, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20251003	250mg	In stock	Shanghai, Chengdu	Inquiry
Batchno.20260127	25g	In stock	Shanghai, Chengdu	Inquiry
Batchno.20250228	5g	In stock	Shanghai, Wuhan, Chengdu	Inquiry

Product code: SSC-012179

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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: 0.1g, 0.25g, 1g, 5g
Available purity: >95%
Inventory rows with stock: 8
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 1114808-87-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	--	2 In Stock	Beijing	Inquiry
0.1g	>95%	2 In Stock	Beijing	Inquiry
0.25g	--	2 In Stock	Shanghai	Inquiry
0.25g	>95%	2 In Stock	Shenzhen	Inquiry
1g	--	2 In Stock	Beijing	Inquiry
1g	>95%	2 In Stock	Shenzhen	Inquiry
5g	--	2 In Stock	Beijing	Inquiry
5g	>95%	2 In Stock	Shanghai	Inquiry

1114808-87-5 / 2-bromo-4-(trifluoromethoxy)benzaldehyde

2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE | MFCD09835093 | SCHEMBL15147553

Standard CAS: 1114808-87-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1114808-87-5

Multi CAS

Molecular Formula

C8H4BrF3O2

Molecular Weight

269.010000

Exact Mass

267.934680

SMILES

C1=CC(=C(C=C1OC(F)(F)F)Br)C=O

InChI

InChI=1S/C8H4BrF3O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-4H

InChIKey

NTFBYDIXDWHKBX-UHFFFAOYSA-N

Synonyms

2-BROMO-4-(TRIFLUOROMETHOXY)BENZALDEHYDE MFCD09835093 SCHEMBL15147553 DTXSID90681766 NTFBYDIXDWHKBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.12

Rotatable bonds

H-bond acceptors

Molar refractivity

46.21

TPSA

26.3

LogP / Solubility

WLOGP

3.16

MLOGP

2.79

XLogP3

3.3

Consensus LogP

3.08

Log S (ESOL)

-3.68

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.05

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.27

Class (SILICOS-IT)

Slightly 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)

-2.12

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 1114808-87-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1114808-87-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

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.