2,2'-ethane-1,1-diy...

2,2'-ethane-1,1-diylbis(4-chlorophenol) 5429-63-0

2,2'-ethane-1,1-diylbis(4-chlorophenol) 5429-63-0

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

2,2-Ethylidenebis(4-chlorophenol) 5429-63-0 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
2,2'-ethane-1,1-diylbis(4-chlorophenol)
【Iupac name】
4-chloro-2-[1-(5-chloro-2-hydroxyphenyl)ethyl]phenol
【CAS Registry number】
5429-63-0
【Synonyms】
2,2'-Ethane-1,1-diylbis(4-chlorophenol)
phenol, 2,2'-ethylidenebis[4-chloro-
【Molecular Formula】
C14H12Cl2O2 (Products with the same molecular formula)
【Molecular Weight】
283.1499
【Inchi】
InChI=1/C14H12Cl2O2/c1-8(11-6-9(15)2-4-13(11)17)12-7-10(16)3-5-14(12)18/h2-8,17-18H,1H3
【Canonical SMILES】
CC(C1=C(C=CC(=C1)Cl)O)C2=C(C=CC(=C2)Cl)O
【MOL File】
5429-63-0.mol
Chemical and Physical Properties
【Density】
1.368g/cm3
【Boiling Point】
413.1°C at 760 mmHg
【Refractive Index】
1.631
【Flash Point】
203.6°C
【Computed Properties】
Molecular Weight:283.14988 [g/mol]
Molecular Formula:C14H12Cl2O2
XLogP3-AA:4.7
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:5
Exact Mass:282.021435
MonoIsotopic Mass:282.021435
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Formal Charge:0
Complexity:249
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 Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:7

 

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