167215

3-Bromotoluene

98%

• Linear Formula: CH₃C₆H₄Br
• CAS Number: 591-17-3
• Molecular Weight: 171.03
• Beilstein: 1903633
• EC Number: 209-702-3
• MDL number: MFCD00000085
• UNSPSC Code: 12352100
• eCl@ss: 39060138
• PubChem Substance ID: 24850201
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.552 (lit.)
• bp: 183.7 °C (lit.)
• mp: −40 °C (lit.)
• density: 1.41 g/mL at 25 °C (lit.)
• functional group: bromo
• SMILES string: Cc1cccc(Br)c1
• InChI: 1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
• InChI key: WJIFKOVZNJTSGO-UHFFFAOYSA-N

Description

General description

3-Bromotoluene is an electron-rich aryl bromide. It participates in the Heck reaction. 3-Bromotoluene undergoes palladium-catalyzed cyanation reaction in the presence of K₄[Fe(CN)₆] as the cyanide surrogate. It undergoes palladium-catalysed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.

Application

3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer).

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Statements: H226,H302,H315,H319,H331,H335
• Precautionary Statements: P210 - P233 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 140.0 °F
• Flash Point(C): 60 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves