CAS 6007-26-7|2-Methyl-1,3-dithiane

Introduction：Basic information about CAS 6007-26-7|2-Methyl-1,3-dithiane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	2-Methyl-1,3-dithiane
CAS Number	6007-26-7	Molecular Weight	134.26300
Density	1.121 g/mL at 25 °C(lit.)	Boiling Point	56-59 °C3 mm Hg(lit.)
Molecular Formula	C₅H₁₀S₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	180 °F

Names

Name	2-Methyl-1,3-dithiane
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.121 g/mL at 25 °C(lit.)
Boiling Point	56-59 °C3 mm Hg(lit.)
Molecular Formula	C₅H₁₀S₂
Molecular Weight	134.26300
Flash Point	180 °F
Exact Mass	134.02200
PSA	50.60000
LogP	2.20250
Index of Refraction	n20/D 1.560(lit.)
InChIKey	KXROTPXCYDXGSC-UHFFFAOYSA-N
SMILES	CC1SCCCS1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JO5263000

CHEMICAL NAME :: m-Dithiane, 2-methyl-

CAS REGISTRY NUMBER :: 6007-26-7

BEILSTEIN REFERENCE NO. :: 0102766

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H10-S2

MOLECULAR WEIGHT :: 134.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 19,461,1984

Safety Information

Personal Protective Equipment	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Safety Phrases	S23-S24/25
RIDADR	3334
WGK Germany	3
RTECS	JO5263000
HS Code	2934999090

Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles3

The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes.

J. Org. Chem. 68(17) , 6780-7, (2003)

Full geometry optimizations were carried out at the HF/6-31G** and B3LYP/6-31G** levels for methylcyclohexane, 2-, 3-, and 4-methyltetrahydropyran, 2-, 3-, and 4-methylpiperidine, 2-, 3-, and 4-methyl...

Anion relay chemistry: an effective tactic for diversity oriented synthesis.

J. Am. Chem. Soc. 128 , 66, (2006)

An effective one-flask multicomponent linchpin coupling protocol employing the concept of anion relay chemistry (ARC) was developed. This concept calls for addition of an anion (5) to an epoxide (6), ...

Crystal structure of potassium trifluoro (2-methyl-1, 3-dithiano) borate, K (C5H9BF3S2). Caracelli I, et al.

Z. Kristallogr. - New Cryst. Struct. 222(3) , 345-7, (2007)

Synonyms

EINECS 227-859-6

2-methyl-1,3-dithiane

MFCD00014652

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