CAS 3042-81-7 Methyl α-Bromophenylacetate molecular structure

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CAS RN: 3042-81-7

Methyl α-Bromophenylacetate

Product Availability

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10 package records6 with current stock4 grade groups

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20260505	1g	Out of stock	Inquiry
Batchno.20260203	25g	In stock	Inquiry
Batchno.20260122	5g	In stock	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260425	100g	Out of stock		8-10 business days	Inquiry
Batchno.20260513	1g	In stock	Shanghai, Shandong, Hebei		Inquiry
Batchno.20250625	25g	In stock	Shanghai		Inquiry
Batchno.20250822	5g	In stock	Shanghai, Shandong		Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251129	1g	Out of stock		8-10 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251129	25g	In stock	Shanghai		Inquiry
Batchno.20250414	5g	Out of stock		8-10 business days	Inquiry

Product code: SSC-134844

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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, 100g, 5g
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 3042-81-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10g	>97%	5 In Stock	Shenzhen	Inquiry
25g	>97%	5 In Stock	Beijing	Inquiry
100g	>97%	3 In Stock	Hong Kong	Inquiry
5g	>97%	0 Out of Stock	Hong Kong	Inquiry

3042-81-7 / methyl 2-bromo-2-phenylacetate

Standard CAS: 3042-81-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

3042-81-7

Multi CAS

Yes

Molecular Formula

C9H9BRO2

Molecular Weight

229.070000

Exact Mass

227.978590

InChI

InChI=1S/C9H9BrO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3

InChIKey

NHFBYYMNJUMVOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

Molar refractivity

50.13

TPSA

26.3

LogP / Solubility

WLOGP

2.3

MLOGP

2.02

XLogP3

2.6

Consensus LogP

2.31

Log S (ESOL)

-2.94

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.1

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.29

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)

-2.49

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Applications of CAS 3042-81-7

This compound is commonly used in materials science and advanced materials development, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 3042-81-7 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. Avoid: Heat 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.