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3-Bromotoluene, 98%

Catalog No. aaa1399036
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Catalog No. Quantity
AAA1399036 500 g
AAA1399014 25 g
AAA1399022 100 g
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Catalog No. AAA1399036

Supplier: Thermo Scientific Chemicals A1399036

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Description

CAS: 591-17-3 | C7H7Br | 171.04 g/mol

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.

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

Specifications

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
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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

RUO – Research Use Only