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Merck
CN

130737

3-碘甲苯

99%

别名:

3-碘代甲苯

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线性分子式:
CH3C6H4I
化学文摘社编号:
分子量:
218.03
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-918-5
Beilstein/REAXYS Number:
1903634
MDL number:
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产品名称

3-碘甲苯, 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

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Application

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

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

存储类别

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

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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[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.
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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