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279617

2-Phenyl-1,3-dithiane

Name: 2-Phenyl-1,3-dithiane
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₁₂S₂

CAS Number:

5425-44-5

Molecular Weight:

196.33

UNSPSC Code:

12352100

PubChem Substance ID:

24856897

EC Number:

226-568-1

MDL number:

MFCD00006656

Assay:

97%

Form:

solid

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Properties

assay

97%

form

solid

mp

72-74 °C (lit.)

solubility

acetone: soluble 25 mg/mL, clear, colorless to yellow

functional group

phenyl, thioether

SMILES string

C1CSC(SC1)c2ccccc2

InChI

1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2

InChI key

GXKPARDRBFURON-UHFFFAOYSA-N

Description

General description

The full set of NMR spectral parameters (¹H, ¹³C, ³¹P) for 2-phenyl-1,3-dithiane has been reported.

Application

2-Phenyl-1,3-dithiane is a versatile acyl anion equivalent and has been used in the preparation of benzaldehyde-1-d.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Synthesis of 1-deuterioaldehydes. Benzaldehyde-1-D.

Seebach D, et al.

The Journal of Organic Chemistry, 31(12), 4303-4304 (1966)

NMR spectral analysis of 1, 3, 2-dithiaphosphorinanes and 1, 3-dithianes.

Martin J and Robert JB.

Org. Magn. Reson., 7(2), 76-77 (1975)

Smith, A. B., III; Boldi, A. M.

Journal of the American Chemical Society, 119, 6925-6925 (1997)

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Global Trade Item Number

SKU	GTIN
279617-5G	04061826211380
279617-25G	04061833020913