1,2-Ethanediol, 1,2-dibenzenesulfonate
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Basic information
- CAS
116-50-7- Standard SMILES
O=S(=O)(OCCOS(=O)(=O)c1ccccc1)c1ccccc1- InChIKey
LLHMWTOYUSTYGU-UHFFFAOYSA-N- Molecular formula
- C14H14O6S2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.02318051
Overview
See also: Ethylene glycol bis(benzenesulfonate) (annotation moved to).
Names & identifiers
- Preferred name
- 1,2-Ethanediol, 1,2-dibenzenesulfonate
- IUPAC
- 2-(benzenesulfonyloxy)ethyl benzenesulfonate
- English name
- 1,2-Ethanediol, dibenzenesulfonate
- Molecular formula
- C14H14O6S2
- Molecular weight
- 342.39
Names & synonyms
1,2-Ethanediol, 1,2-dibenzenesulfonateRefChem:412019116-50-7ethane-1,2-diyl dibenzenesulfonate1,2-Ethanediol, dibenzenesulfonateEthyleneglycol dibenzenesulfonate1,2-Ethanediol dibenzenesulfonateNSC-32202-(benzenesulfonyloxy)ethyl benzenesulfonate1, dibenzenesulfonate95EE3KRR9KSCHEMBL3449015
Show more names
Benzenesulfonic Acid Impurity 20ETHYLENE GLYCOL BIS(BENZENESULFONATE)2-(benzenesulfonyloxy)ethylbenzenesulfonate
Benzenesulfonic Acid Impurity 4DTXSID70921894NSC3220Ethylene glycol, dibenzenesulfonateNSC 3220AKOS024334348NS001232022-[(phenylsulfonyl)oxy]ethyl benzenesulfonate
Database identifiers
- CAS
116-50-7- PubChem CID
- 220449
- DTXSID
DTXSID70921894- UNII
- 95EE3KRR9K
- Nikkaji
- J3.777.008F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 190 °C · 190 °C(Press: 1 Torr)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- FDA UNII
- 95 EE3KRR9K · 95EE3KRR9K
- EPA Substance Registry System
- 1 · 1,2-Ethanediol dibenzenesulfonate (116-50-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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