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Benzene,1,2,4,5-tetrachloro-3-isothiocyanato-

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Name

Benzene,1,2,4,5-tetrachloro-3-isothiocyanato-

EINECS N/A
CAS No. 22133-95-5 Density 1.63 g/cm3
PSA 44.45000 LogP 5.03450
Solubility N/A Melting Point 88 °C
Formula C7HCl4NS Boiling Point 381.3 °C at 760 mmHg
Molecular Weight 272.97 Flash Point 184.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 22133-95-5 (2,3,5,6-TETRACHLOROPHENYL ISOTHIOCYANATE) Hazard Symbols ToxicT
Synonyms

2,3,5,6-Tetrachlorophenyl isothiocyanate;

 

Benzene,1,2,4,5-tetrachloro-3-isothiocyanato- Specification

The Benzene,1,2,4,5-tetrachloro-3-isothiocyanato-, with the CAS registry number 22133-95-5, is also known as 2,3,5,6-Tetrachlorophenyl isothiocyanate. This chemical's molecular formula is C7HCl4NS and molecular weight is 272.97. What's more, its systematic name is 1,2,4,5-tetrachloro-3-isothiocyanatobenzene.

Physical properties of Benzene,1,2,4,5-tetrachloro-3-isothiocyanato- are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7239.47; (6)ACD/BCF (pH 7.4): 7239.47; (7)ACD/KOC (pH 5.5): 20154.36; (8)ACD/KOC (pH 7.4): 20154.36; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 61.03 cm3; (15)Molar Volume: 167.3 cm3; (16)Polarizability: 24.19×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 60.49 kJ/mol; (21)Boiling Point: 381.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health at low levels. It is harmful by inhalation, in contact with skin and if swallowed. What's more, the product is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(/N=C=S)c(Cl)c(Cl)cc1Cl
(2)Std. InChI: InChI=1S/C7HCl4NS/c8-3-1-4(9)6(11)7(5(3)10)12-2-13/h1H
(3)Std. InChIKey: DWJBOECIDDLGFI-UHFFFAOYSA-N

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