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Chemical Product CAS:1072-53-31,3,2-Dioxathiolane,2,2-dioxide

CAS:1072-53-3
1,3,2-Dioxathiolane,2,2-dioxide

  • CAS No:

    1072-53-3
  • Name:

    1,3,2-Dioxathiolane,2,2-dioxide
  • Molecular Formula:

    C2H4 O4 S
  • Molecular Weight:

    124.12
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1,3,2-Dioxathiolane,2,2-dioxide ( CASNO:1072-53-3 )

Identification and Related Records
Name:
1,3,2-Dioxathiolane,2,2-dioxide
CAS Registry number:
1072-53-3
Iupac name:
1,3,2-dioxathiolane 2,2-dioxide
Synonyms:
Ethyleneglycol, cyclic sulfate (8CI)
Ethylene sulfate (((CH2O)2SO2)) (6CI,7CI)
1,2-Ethylene sulfate
Ethylene sulfate
NSC 526594
Molecular Formula:
C2H4 O4 S
Molecular Weight:
124.12
Inchi:
InChI=1/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
Canonical SMILES:
C1COS(=O)(=O)O1
Chemical and Physical Properties
Appearance:
yellowish crystal
Density:
1.604 g/cm3
Melting Point:
95-97 °C(lit.)
Boiling Point:
231.1 °C at 760 mmHg
Vapour:
0.0965mmHg at 25°C
Refractive Index:
1.469
Flash Point:
93.5 °C
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:124.11576 [g/mol]
Molecular Formula:C2H4O4S
XLogP3-AA:-0.5
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:123.983029
MonoIsotopic Mass:123.983029
Topological Polar Surface Area:61
Heavy Atom Count:7
Formal Charge:0
Complexity:128
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
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:0.8
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
Safety Statements:
Questionable carcinogen with experimental tumorigenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx. See also SULFATES and ESTERS.
Safety:
Questionable carcinogen with experimental tumorigenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx. See also SULFATES and ESTERS.Safety information of 1,3,2-Dioxathiolane 2,2-dioxide (CAS NO.1072-53-3):
WGK Germany  3
RTECS  JH4800000
Report:
EPA Genetic Toxicology Program.
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