4-(2,4,4-trimethylp...

4-(2,4,4-trimethylpentan-2-yl)phenyl benzenesulfonate 5415-89-4

4-(2,4,4-trimethylpentan-2-yl)phenyl benzenesulfonate 5415-89-4

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2-[4-(benzenesulfonyloxy)phenyl]-2,4,4-trimethyl-pentane 5415-89-4 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
4-(2,4,4-trimethylpentan-2-yl)phenyl benzenesulfonate
【CAS Registry number】
5415-89-4
【Synonyms】
4-(2,4,4-trimethylpentan-2-yl)phenyl benzenesulfonate
NSC11313
AC1L5CNW
AC1Q6XYY
AR-1F5711
NSC-11313
[4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate
【Molecular Formula】
C20H26O3S (Products with the same molecular formula)
【Molecular Weight】
346.4836
【Inchi】
InChI=1/C20H26O3S/c1-19(2,3)15-20(4,5)16-11-13-17(14-12-16)23-24(21,22)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
【Canonical SMILES】
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2
【MOL File】
5415-89-4.mol
Chemical and Physical Properties
【Density】
1.096g/cm3
【Boiling Point】
452.5°C at 760 mmHg
【Refractive Index】
1.539
【Flash Point】
227.5°C
【Computed Properties】
Molecular Weight:346.48364 [g/mol]
Molecular Formula:C20H26O3S
XLogP3:6.5
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:6
Exact Mass:346.160265
MonoIsotopic Mass:346.160265
Topological Polar Surface Area:51.8
Heavy Atom Count:24
Formal Charge:0
Complexity:482
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 Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:36

 

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