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130737

Sigma-Aldrich

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
Beilstein:
1903634
EC Number:
210-918-5
MDL number:
MFCD00001050
UNSPSC Code:
12352100
PubChem Substance ID:
24847977
NACRES:
NA.22

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.)

SMILES string

Cc1cccc(I)c1

InChI

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

InChI key

VLCPISYURGTGLP-UHFFFAOYSA-N

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Application

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

181.4 °F - closed cup

Flash Point(C)

83 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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.
[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)
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
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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