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Merck
CN

130737

3-Iodotoluene

99%

Synonym(s):

1-Iodo-3-methylbenzene

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About This Item

Linear Formula:
CH3C6H4I
CAS Number:
625-95-6
Molecular Weight:
218.03
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847977
EC Number:
210-918-5
Beilstein/REAXYS Number:
1903634
MDL number:
MFCD00001050
Assay:
99%
Form:
liquid

Key Documents

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Product Name

3-Iodotoluene, 99%

InChI key

VLCPISYURGTGLP-UHFFFAOYSA-N

InChI

1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

SMILES string

Cc1cccc(I)c1

assay

99%

form

liquid

refractive index

n20/D 1.604 (lit.)

bp

80-82 °C/10 mmHg (lit.)

density

1.698 g/mL at 25 °C (lit.)

functional group

iodo

Quality Level

200

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Application

3-Iodotoluene (1-Iodo-3-methylbenzene) was used in the preparartion of indene derivatives.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

181.4 °F - closed cup

flash_point_c

83 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM7312
BCCG5128
BCCB9631
BCBS2373V
BCBP3044V

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Ya-Jun Liu et al.
The Journal of chemical physics, 132(1), 014306-014306 (2010-01-19)
The multistate second order multiconfigurational perturbation theory in conjunction with spin-orbit interaction through complete active space state interaction (MS-CASPT2/CASSI-SO) was employed to calculate the potential energy curves for the ground and low-lying excited states of o-, m-, and p-iodotoluene along
[Information on basics of MAC for m-toluate iodide in the air of work area].
V I Sokolov et al.
Gigiena truda i professional'nye zabolevaniia, (9-10)(9-10), 44-45 (1992-01-01)
Zheng-Hui Guan et al.
Organic & biomolecular chemistry, 6(6), 1040-1045 (2008-03-11)
The palladium-catalyzed carboannulation and arylation reaction of propargylic carbonates with in situ generated organozinc compounds produced an important new class of indene derivatives. The reaction proceeded under mild conditions, and indene products were isolated in good to excellent yields.
Mizoroki-heck-type reaction mediated by potassium tert-butoxide.
Eiji Shirakawa et al.
Angewandte Chemie (International ed. in English), 50(20), 4671-4674 (2011-04-08)

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