1-chloro-4-(trichlo...

1-chloro-4-(trichloromethyldisulfanyl)benzene 52739-88-5

1-chloro-4-(trichloromethyldisulfanyl)benzene 52739-88-5

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Keywords

Disulfide, 4-chloro trichloromethyl 1-chloro-4-(trichloromethyldisulfanyl)benzene 52739-88-5

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  • ProductionCapacity:100|Kilogram|Month
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Details:

Identification and Related Records
【Name】
1-chloro-4-[(trichloromethyl)disulfanyl]benzene
【Iupac name】
1-chloro-4-(trichloromethyldisulfanyl)benzene
【CAS Registry number】
52739-88-5
【Synonyms】
1-Chloro-4-[(trichloromethyl)disulfanyl]benzene
4-Chlorophenyl trichloromethyl disulfide
disulfide, 4-chlorophenyl trichloromethyl
【Molecular Formula】
C7H4Cl4S2 (Products with the same molecular formula)
【Molecular Weight】
294.0487
【Inchi】
InChI=1/C7H4Cl4S2/c8-5-1-3-6(4-2-5)12-13-7(9,10)11/h1-4H
【Canonical SMILES】
C1=CC(=CC=C1SSC(Cl)(Cl)Cl)Cl
【MOL File】
52739-88-5.mol
Chemical and Physical Properties
【Density】
1.62g/cm3
【Boiling Point】
264.6°C at 760 mmHg
【Refractive Index】
1.659
【Flash Point】
111.7°C
【Computed Properties】
Molecular Weight:294.04866 [g/mol]
Molecular Formula:C7H4Cl4S2
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:293.847902
MonoIsotopic Mass:291.850852
Topological Polar Surface Area:50.6
Heavy Atom Count:13
Formal Charge:0
Complexity:151
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 Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:9

 

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