Skip to Content
Merck
CN

Key Documents

View All Documentation

499625

Methyl 3-bromobenzoate

98%

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
BrC6H4CO2CH3
CAS Number:
618-89-3
Molecular Weight:
215.04
NACRES:
NA.22
PubChem Substance ID:
24873294
UNSPSC Code:
12352100
EC Number:
210-569-9
MDL number:
MFCD00017777
Assay:
98%
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Segment

200

assay

98%

bp

127-128 °C/15 mmHg (lit.)

mp

31-33 °C (lit.)

functional group

bromo, ester

SMILES string

COC(=O)c1cccc(Br)c1

InChI

1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

InChI key

KMFJVYMFCAIRAN-UHFFFAOYSA-N

General description

Methyl 3-bromobenzoate is an aryl bromide. It undergoes stereoconvergent cross-coupling with potassium trifluoro(1-phenylethyl)borate to form 1,1-diarylethane derivative. The Negishi cross-coupling reaction between methyl 3-bromobenzoate and diarylzinc reagents in the presence of a palladium catalyst has been reported. Methyl-3-bromobenzoate can be converted into the corresponding benzonitrile using dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium as a C-C cross-coupling catalyst and K4[Fe(CN)6] as a cyanating agent.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library