Methyl 3-bromobenzoate, 98+%

Description

CAS: 618-89-3 | C8H7BrO2 | 215.046 g/mol

Methyl 3-bromobenzoate is used as a reagent in organic synthesis. It is used in the synthesis of tetrahydro dibenzazocine, which acts as an inhibitor of 17beta-hydroxysteroid dehydrogenase type 3. Further, it is used to prepare 3-tert-butylphosphanyl-benzoic acid methyl ester by reacting with tert-butyltrimethylsilylphosphine.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl 3-bromobenzoate is used as a reagent in organic synthesis. It is used in the synthesis of tetrahydro dibenzazocine, which acts as an inhibitor of 17beta-hydroxysteroid dehydrogenase type 3. Further, it is used to prepare 3-tert-butylphosphanyl-benzoic acid methyl ester by reacting with tert-butyltrimethylsilylphosphine.

Solubility
Slightly soluble in water.

Notes
Incompatible with strong oxidizing agents, strong acids and strong bases.

Specifications

Chemical Identifiers

• CAS: 618-89-3
• Molecular Formula: C8H7BrO2
• Molecular Weight (g/mol): 215.046
• MDL Number: MFCD00017777
• InChI Key: KMFJVYMFCAIRAN-UHFFFAOYSA-N
• Synonym: methyl m-bromobenzoate, 3-bromobenzoic acid methyl ester, benzoic acid, 3-bromo-, methyl ester, 3-bromobenzoic acid, methyl ester, methyl-3-bromobenzoate, benzoic acid, m-bromo-, methyl ester, m-bromobenzoic acid methyl ester, pubchem3961, methyl m-bromo benzoate, methyl 3-bromo-benzoate
• PubChem CID: 12070
• IUPAC Name: methyl 3-bromobenzoate
• SMILES: COC(=O)C1=CC(=CC=C1)Br

• Melting Point: 30°C to 33°C
• Boiling Point: 139°C to 140°C (35 mmHg)
• Flash Point: >110°C (230°F)
• Refractive Index: 1.5575
• Quantity: 250 g
• Beilstein: 1940810
• Solubility Information: Slightly soluble in water.
• Formula Weight: 215.05
• Percent Purity: ≥98%
• Chemical Name or Material: Methyl 3-bromobenzoate

Safety and Handling

Hazard Category	H315-H319-H335
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	210-569-9
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only