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Home> Encyclopedia > Hot Product Listed 3   > 3,4-Epoxysulfolane
4509-11-9 structure

3,4-Epoxysulfolane

Iupac Name:6-oxa-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
CAS No.:4509-11-9
EINECS(EC#): 224-827-3
Molecular Weight:134.15364
Molecular Formula:C4H6O3S (isomer)
Properties
Density
1.576
Melting Point
145-150 °C(lit.)
Boiling Point
379.2°C at 760 mmHg
Refractive Index
1.547
Flash Point
183.1°C
HS Code
2902199090
Safety and Handling
Hazard Codes
Xn
Risk Statements
20/21/22-36/37/38
Safety Statements
Mildly toxic by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx.
Safety

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

Toxicity

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.

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 .

Computational chemical data
  • Molecular Weight:134.15364g/mol
  • Molecular Formula:C4H6O3S
  • Exact Mass:134.003765
  • Monoisotopic Mass:134.003765
  • Complexity:184
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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