CAS No.22441-21-0,BIS(PENTACHLOROPHENYL) DISULFIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22441-21-0
Name:	BIS(PENTACHLOROPHENYL) DISULFIDE

Formula:	C₁₂Cl₁₀S₂
Molecular Weight:	562.794
Synonyms:	Disulfide,bis(pentachlorophenyl) (6CI,7CI,8CI,9CI);Bis(pentachlorophenyl) disulfide;Perchlorodiphenyl disulfide;bis(pentachlorophenyl)disulfide;
EINECS:	244-999-3
Density:	1.953 g/cm³
Melting Point:	237 °C
Boiling Point:	539.229 °C at 760 mmHg
Flash Point:	253.641 °C
PSA:	50.60000
LogP:	11.02000

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Specification

The Disulfide,bis(2,3,4,5,6-pentachlorophenyl), with CAS registry number 22441-21-0, has the systematic name of 1,1'-disulfanediylbis(pentachlorobenzene). And the chemical formula of this chemical is C₁₂Cl₁₀S₂. What's more, its EINECS is 244-999-3.

Physical properties of Disulfide,bis(2,3,4,5,6-pentachlorophenyl): (1)ACD/LogP: 10.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.24; (4)ACD/LogD (pH 7.4): 10.24; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8914169; (8)ACD/KOC (pH 7.4): 8914169; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 115.76 cm³; (15)Molar Volume: 288.2 cm³; (16)Polarizability: 45.89×10^-24cm³; (17)Surface Tension: 76.9 dyne/cm; (18)Enthalpy of Vaporization: 78.6 kJ/mol; (19)Vapour Pressure: 3.77E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(SSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c(Cl)c(Cl)c(Cl)c2Cl
(2)InChI: InChI=1/C12Cl10S2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22
(3)InChIKey: LSVXAQMPXJUTBV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12Cl10S2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22
(5)Std. InChIKey: LSVXAQMPXJUTBV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	> 4500mg/kg (4500mg/kg)		Archives of Toxicology. Vol. 51, Pg. 329, 1982