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Merck
CN

549266

3,5-二氯茴香硫醚

97%

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关于此项目

线性分子式:
Cl2C6H3SCH3
化学文摘社编号:
分子量:
193.09
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
97%
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assay

97%

InChI

1S/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

SMILES string

CSc1cc(Cl)cc(Cl)c1

InChI key

PSSCMQMQOXVMFG-UHFFFAOYSA-N

refractive index

n20/D 1.613 (lit.)

bp

262-263 °C (lit.)

density

1.349 g/mL at 25 °C (lit.)

General description

3,5-Dichlorothioanisole is a meta-disubstituted thioanisole derivative. Its conformation has been studied based on the long-range spin-spin coupling constant and proximate proton-proton coupling constant, obtained from its NMR data.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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分析证书(COA)

Lot/Batch Number

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R Kimura et al.
Toxicology and applied pharmacology, 78(2), 300-309 (1985-04-01)
The increases in the hepatic microsomal aminopyrine N-demethylase activity and in the content of cytochrome P-450 produced by m-dichlorobenzene (m-DCB) occurred after increases in the hepatic concentration of 3,5-dichlorophenyl methyl sulfone, a minor metabolite. The extent of increases in aminopyrine
Mechanisms of long-range 13C, 13c spin-spin coupling in thioanisole and its derivatives. Conformational applications.
Schaefer T and Penner GH.
Canadian Journal of Chemistry, 66(5), 1229-1238 (1988)
Motion about the Csp 2-S bond in thioanisole and some derivatives by the J method.
Schaefer T and Baleja JD.
Canadian Journal of Chemistry, 64(7), 1326-1331 (1986)
The proximate coupling constant, 5 J (H, CH3), and the torsional mobility of the thiomethyl group in some thioanisole derivatives.
Schaefer T, et al.
Canadian Journal of Chemistry, 69(4), 620-624 (1991)

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