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4509-11-9

Basic Information
CAS No.: 4509-11-9
Name: 3,4-EPOXYTETRAHYDROTHIOPHENE-1,1-DIOXIDE
Article Data: 16
Molecular Structure:
Molecular Structure of 4509-11-9 (3,4-EPOXYTETRAHYDROTHIOPHENE-1,1-DIOXIDE)
Formula: C4H6O3S
Molecular Weight: 134.156
Synonyms: 3,4-epoxythiolane 1,1-dioxide;3,4-Epoxytetrahydrothiophene-1,1-dioxide;2,3-Epoxy-1,4-butanediyl sulfone;3,4-Epoxy-tetrahydro-thiophen-1,1-dioxid;2,3-Epoxytetramethylene sulfone;3,4-Epoxysulfolane;3,4-epoxy-2,3,4,5-tetrahydrothiophene-1,1-dioxide;Tetramethylene sulfone,2,3-epoxy;EINECS 224-827-3;3,4-Epoxy-1,2,3,4-tetrahydrothiophene-1,1-dioxide;
Density: 1.576g/cm3
Melting Point: 145-150oC(lit.)
Boiling Point: 379.2°C at 760 mmHg
Flash Point: 183.1°C
Hazard Symbols: Xn
Risk Codes: R20/21/22; R36/37/38
Safety: Mildly toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx.
PSA: 55.05000
LogP: 0.26300
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Chemistry

Product Name: 3,4-Epoxysulfolane (CAS NO.4509-11-9)


IUPAC: 6-Oxa-3$l^{6}-thiabicyclo[3.1.0]hexane 3,3-dioxide
Molecular Formula: C4H6O3S
Molecular Weight: 134.15g/mol
Mol File: 4509-11-9.mol
EINECS: 224-827-3
Melting Point: 145-150 °C(lit.)
Boiling point: 379.2 °C at 760 mmHg
Flash Point: 183.1 °C
Density: 1.576 g/cm3
Surface Tension: 49.8 dyne/cm
Enthalpy of Vaporization: 60.26 kJ/mol
Vapour Pressure:  1.3E-05 mmHg at 25°C 
XLogP3-AA: -0.9
H-Bond Donor: 0
H-Bond Acceptor: 3
Product Categories: EPOXYDE; Epoxide Monomers; Monomers; Polymer Science; Epoxides; Organic Building Blocks; Oxygen Compounds

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5500mg/kg (5500mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 257, 1978.

Safety Profile

Mildly toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx.
Safety Information of 3,4-Epoxysulfolane (CAS NO.4509-11-9):
Hazard Codes: XnHarmful
Risk Statements: 20/21/22-36/37/38 
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 26-36
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing
WGK Germany: 3
RTECS: RP3850000

Specification

 3,4-Epoxysulfolane , its CAS NO. is 4509-11-9, the synonyms are 2,3-Epoxy-1,4-butanediyl sulfone ; 2,3-Epoxytetramethylene sulfone ; 3,4-Epoxytetrahydrothiophene 1,1-dioxide ; 4-19-00-00111 (Beilstein Handbook Reference) ; 6-Oxa-3-thiabicyclo(3.1.0)hexane 3,3-dioxide ; BRN 0113462 ; NSC 24263 ; Tetrahydro-3,4-epoxythiophene 1,1-dioxide ;  Tetramethylene sulfone, 2,3-epoxy- ; Thiophene, tetrahydro-3,4-epoxy-, 1,1-dioxide .