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I11704

Sigma-Aldrich

2-Iodotoluene

98%

Synonym(s):

1-Iodo-2-methylbenzene

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About This Item

Linear Formula:
CH3C6H4I
CAS Number:
615-37-2
Molecular Weight:
218.03
Beilstein/REAXYS Number:
1634294
EC Number:
210-422-9
MDL number:
MFCD00001042
UNSPSC Code:
12352100
PubChem Substance ID:
24895921
NACRES:
NA.22

Quality Level

100

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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Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

wgk_germany

WGK 3

flash_point_f

194.0 °F

flash_point_c

90 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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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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