1,3-dithiane, 95%

Name: 1,3-dithiane
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

505-23-7

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About this item

IUPAC name	1,3-dithiane
inchi	InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
inchi key	WQADWIOXOXRPLN-UHFFFAOYSA-N
molecular formula	C4H8S2
synonyms	1,3-Dithiane 505-23-7 1,3-Dithiacyclohexane m-DITHIANE Dithiane-1,3
Compound Description	1,3-dithiane is a dithiane. 1,3-Dithiane has been reported in Allium sativum with data available.

Computed Properties

Molecular Weight:	120.2 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	120.00674260 g/mol
Monoisotopic Mass:	120.00674260 g/mol
Topological Polar Surface Area:	50.6 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	32.5
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (50%) Eye Irrit. 2A (50%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Intraperitoneal LD50 (mouse) = 1,500 mg/kg. An irritant.

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: CG7167

1,3-dithiane, 95%

Product No: CG7167

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Product No: CG7167

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?