Methyl 4-bromobenzoate, 98+%, Thermo Scientific Chemicals

Description

Methyl 4-bromobenzoate is used as a starting material in the synthesis of three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine and methyl 4-tri-n-butylstannylbenzoate. It is also used to stimulate microbial dechlorination of polychlorinated biphenyls. Further, it is used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.

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 4-bromobenzoate is used as a starting material in the synthesis of three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine and methyl 4-tri-n-butylstannylbenzoate. It is also used to stimulate microbial dechlorination of polychlorinated biphenyls. Further, it is used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.

Solubility
Insoluble in water.

Notes
Incompatible with strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 619-42-1
• Molecular Formula: C8H7BrO2
• Molecular Weight (g/mol): 215.046
• MDL Number: MFCD00013531
• InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N
• Synonym: benzoic acid, 4-bromo-, methyl ester, methyl p-bromobenzoate, 4-bromobenzoic acid methyl ester, p-bromobenzoic acid, methyl ester, unii-ub1ysj5xar, ub1ysj5xar, benzoic acid, p-bromo-, methyl ester, pubchem3962, methyl-4-bromobenzoate, methyl p-bromo benzoate
• PubChem CID: 12081
• IUPAC Name: methyl 4-bromobenzoate
• SMILES: COC(=O)C1=CC=C(C=C1)Br

• Melting Point: 77°C to 81°C
• Density: 1.69
• Quantity: 100 g
• Beilstein: 2045132
• Merck Index: 14,1408
• Solubility Information: Insoluble in water.
• Formula Weight: 215.05
• Percent Purity: ≥98%
• Chemical Name or Material: Methyl 4-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	210-596-6
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only