167215
3-Bromotoluene
98%
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About This Item
Linear Formula:
CH3C6H4Br
CAS Number:
Molecular Weight:
171.03
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39060138
UNSPSC Code:
12352100
EC Number:
209-702-3
MDL number:
Beilstein/REAXYS Number:
1903633
Assay:
98%
Form:
liquid
Quality Segment
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
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).
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signalword
Danger
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
3 - Flammable liquids
wgk
WGK 3
flash_point_f
140.0 °F
flash_point_c
60 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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