3-Bromotoluene, 98%, Thermo Scientific Chemicals

Description

3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer). It undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It also undergoes palladium-catalyzed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.

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
3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer). It undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It also undergoes palladium-catalyzed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.

Solubility
Not miscible in water. Soluble in alcohols, ether and benzene.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 591-17-3
• Molecular Formula: C7H7Br
• Molecular Weight (g/mol): 171.04
• MDL Number: MFCD00000085
• InChI Key: WJIFKOVZNJTSGO-UHFFFAOYSA-N
• Synonym: 3-bromotoluene, m-bromotoluene, 3-methylbromobenzene, benzene, 1-bromo-3-methyl, m-tolyl bromide, toluene, m-bromo, 5-bromotoluene, 3-bromo-1-methylbenzene, m-methylbromobenzene, 3-methyl-1-bromobenzene
• PubChem CID: 11560
• IUPAC Name: 1-bromo-3-methylbenzene
• SMILES: CC1=CC=CC(Br)=C1

• Melting Point: -40°C
• Density: 1.41
• Boiling Point: 183°C to 184°C
• Flash Point: 75°C (167°F)
• Refractive Index: 1.552
• Quantity: 500 g
• Beilstein: 1903633
• Merck Index: 14,1439
• Solubility Information: Not miscible in water. Soluble in alcohols,ether and benzene.
• Formula Weight: 171.04
• Percent Purity: 98%
• Chemical Name or Material: 3-Bromotoluene

Safety and Handling

Hazard Category	H226-H302-H315-H319-H335
Hazard Statement	GHS H Statement H302-H315-H319-H335-H227 Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. Combustible liquid.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P312-P330-P332+P313-P363-P370+P378q-P501c
DOTInformation	Hazard Class: 3; Packaging Group: III
EINECSNumber	209-702-3
RTECSNumber	XS7965400
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only