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5181-10-2

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Basic Information
CAS No.: 5181-10-2
Name: 4,4'-DICHLORO DIPHENYL SULFIDE
Article Data: 67
Molecular Structure:
Molecular Structure of 5181-10-2 (4,4'-DICHLORO DIPHENYL SULFIDE)
Formula: C12H8Cl2S
Molecular Weight: 255.168
Synonyms: Sulfide,bis(p-chlorophenyl) (6CI,7CI,8CI);1,1'-Thiobis(4-chlorobenzene);4-Chlorophenyl sulfide;Bis(p-chlorophenyl) sulfide;Di-p-chlorophenyl sulfide;NSC 40470;
Density: 1.366 g/cm3
Melting Point: 88-89 °C
Boiling Point: 379.927 °C at 760 mmHg
Flash Point: 171.332 °C
PSA: 25.30000
LogP: 5.14460
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Chemistry

Molecular Structure of 4,4'-Dichlorodiphenyl sulfide (CAS No.5181-10-2):
 
Molecular Formula: C12H8Cl2S
Molecular Weight: 255.1629
CAS No: 5181-10-2
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.662
Molar Refractivity: 69.12 cm3
Molar Volume: 186.7 cm3
Surface Tension: 53.1 dyne/cm
Density: 1.36 g/cm3
Flash Point: 171.3 °C
Enthalpy of Vaporization: 60.34 kJ/mol
Boiling Point: 379.9 °C at 760 mmHg
Vapour Pressure: 1.24E-05 mmHg at 25°C
IUPAC Name: 1-Chloro-4-(4-chlorophenyl)sulfanylbenzene
InChI: InChI=1/C12H8Cl2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey: MJEPOVIWHVRBIT-UHFFFAOYAF
Std. InChI: InChI=1S/C12H8Cl2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
Std. InChIKey: MJEPOVIWHVRBIT-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 20, 1953.

Specification

  4,4'-Dichlorodiphenyl sulfide (CAS No.5181-10-2), its synonyms are
4-Chlorophenyl sulfide ; Benzene, 1,1'-thiobis(4-chloro- ; Bis(4-chlorophenyl) sulfide ; Bis(p-chlorophenyl) sulfide ; Di(4-chlorophenyl)sulfide ; Di-p-chlorophenyl sulfide ; Sulfide, bis(p-chlorophenyl) ; p-Chlorophenyl sulfide .