Basic information
- CAS
32527-15-4- Standard SMILES
Cc1ccc(S(=O)(=O)OCC#CC#CCOS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
DXMVSZQXZAMXJA-UHFFFAOYSA-N- Molecular formula
- C20H18O6S2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.05448064
Names & identifiers
- Preferred name
- 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
- IUPAC
- 6-(4-methylphenyl)sulfonyloxyhexa-2,4-diynyl 4-methylbenzenesulfonate
- English name
- hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulphonate)
- Molecular formula
- C20H18O6S2
- Molecular weight
- 418.48
Names & synonyms
32527-15-42,4-Hexadiyne-1,6-diol, bis(4-methylbenzenesulfonate)BRN 21886112,4-Hexadiyn-1,6-bis-p-toluenesulfonateEINECS 251-082-1DTXSID90676934-11-00-00318 (Beilstein Handbook Reference)2,4-HEXADIYNE-1,6-DIOL, DI-p-TOLUENESULFONATE2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)RefChem:82623DTXCID70385256-(4-methylphenyl)sulfonyloxyhexa-2,4-diynyl 4-methylbenzenesulfonate
Show more names
TS-61,6-Bis(tosyloxy)-2,4-hexadiyne2,4-Hexadiyne-1,6-diol bis(p-toluenesulfonate)1,6-Bis(4-methylphenylsulfonyloxy)-2,4-hexadiyne2,4-Hexadiyne-1,6-diol,1,6-(4-methylbenzenesulfonate)Bis(p-toluenesulfonic acid)2,4-hexadiyne-1,6-diyl ester
Hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulfonate)Hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulphonate)SCHEMBL542839DXMVSZQXZAMXJA-UHFFFAOYSA-N2.4-Hexadiin-1.6-diol-bis-p-toluolsulfonatNS00029291Hexa-2,4-diyne-1,6-diyl bis(4-methylbenzene-1-sulfonate)
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 762
Physicochemical properties
- Melting point
- 91 · 91-95 °C(Solv: acetone (67-64-1); hexane (110-54-3))
- Boiling point
- 506.24 °C · 506.24°C (rough estimate)
- Density
- 1.3472 · 1.3472 (rough estimate)
- refractive index
- 1.695 · 1.6950 (estimate)
- EPA Substance Registry System
- 2 · 2,4-Hexadiyne-1,6-diol, bis(4-methylbenzenesulfonate) (32527-15-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate): ACTIVE
Suppliers1 total
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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