I11704
2-Iodotoluene
98%
Synonym(s):
1-Iodo-2-methylbenzene
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About This Item
Linear Formula:
CH3C6H4I
CAS Number:
Molecular Weight:
218.03
Beilstein/REAXYS Number:
1634294
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
98%
form
liquid
refractive index
n20/D 1.608 (lit.)
bp
211 °C (lit.)
density
1.713 g/mL at 25 °C (lit.)
SMILES string
Cc1ccccc1I
InChI
1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI key
RINOYHWVBUKAQE-UHFFFAOYSA-N
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signalword
Warning
hcodes
pcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
194.0 °F - closed cup
flash_point_c
90 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Sven Herbers et al.
Physical chemistry chemical physics : PCCP, 22(20), 11490-11497 (2020-05-12)
The internal rotation of methyl groups and nuclear quadrupole moments of the halogens Cl, Br, I in o-halotoluenes cause complex spectral fine and hyperfine structures in rotational spectra arising from angular momentum coupling. Building on the existing data regarding o-fluorotoluene
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