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1,3-Dithiane

1,3-Dithiane structure

CAS No:
505-23-7
Formula:
C4H8S2
Chemical Name:
1,3-Dithiane
Synonyms:
1,3-Dithiane;m-Dithiane;m-Dithiane;1,3-Dithiacyclohexane;NSC 157830
Categories:
Chemical Reagents > Organic Reagents

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Description

white to pale beige crystals, needles or powder

Solid

1,3-dithiane is a dithiane.

1,3-Dithiane Basic Attributes

Molecular Weight：

120.24

Exact Mass：

120.24

BRN：

102534

EC Number：

208-006-7

UNII：

63527N060G

NSC Number：

157830

DSSTox ID：

DTXSID40198516

HScode：

29349990

Characteristics

PSA：

50.6

XLogP3：

1.8

Appearance：

White to pale beige Crystals, Needles or Powder

Density：

1.1±0.1 g/cm3

Melting Point：

54 °C

Boiling Point：

207-208°C

Flash Point：

195 °F

Refractive Index：

1.574

Water Solubility：

soluble in benzene, ether, chloroform and terahydrofuran. Slightly soluble in water.

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

20/21/22

safety instructions：

22-24/25

RTECS Number：

JO5070000

Drug Information

MeSH Entry Terms：

1,3-dithiane

1,3-Dithiane Use and Manufacturing

Methods of Manufacturing

The mixture of boron trifluoride ether solution, glacial acetic acid and chloroform was heated to reflux under vigorous stirring, and 1, 3-propanedithiol and formaldehyde dimethylacetal-chloroform solution were added dropwise. Then cool to room temperature. Wash with water, 10% potassium hydroxide solution and water successively. The chloroform solution was separated and dried and concentrated. The residue was dissolved in methanol, heated to boiling, and filtered while it was hot. The filtrate was cooled to room temperature and allowed to stand overnight at -20°C. The crystals were filtered out and dried in vacuo to obtain 1, 3-dithiol alkyl.

Uses

Used in organic synthesis.

Computed Properties

Molecular Weight:120.2
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:120.00674260
Monoisotopic Mass:120.00674260
Topological Polar Surface Area:50.6
Heavy Atom Count:6
Complexity:32.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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