All Photos(1)
Synonym(s):
1-Iodo-3-methylbenzene
Linear Formula:
CH3C6H4I
CAS Number:
Molecular Weight:
218.03
Beilstein:
1903634
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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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Related Categories
Application
3-Iodotoluene (1-Iodo-3-methylbenzene) was used in the preparartion of indene derivatives.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 2
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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