549266
3,5-Dichlorothioanisole
97%
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About This Item
Linear Formula:
Cl2C6H3SCH3
CAS Number:
Molecular Weight:
193.09
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
97%
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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