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42221-52-3

Basic Information
CAS No.: 42221-52-3
Name: 2,3,4,5-Tetrachlorobenzoyl chloride
Molecular Structure:
Molecular Structure of 42221-52-3 (2,3,4,5-Tetrachlorobenzoyl chloride)
Formula: C7HCl5O
Molecular Weight: 278.349
Synonyms: 2,3,4,5-Tetrachlorobenzoylchloride;
EINECS: 406-760-3
Density: 1.7 g/cm3
Melting Point: 40 °C
Boiling Point: 308.1 °C at 760 mmHg
Flash Point: 129.3 °C
Hazard Symbols: CorrosiveC
Risk Codes: 22-34-43
Safety: 26-36/37/39-45
PSA: 17.07000
LogP: 4.67920
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Specification

The 2,3,4,5-Tetrachlorobenzoyl chloride, with CAS registry number 42221-52-3,  has the systematic name of 2,3,4,5-tetrachlorobenzoyl chloride. Besides this, it is also called benzoyl chloride, 2,3,4,5-tetrachloro-. And the chemical formula of this chemical is C7HCl5O. What's more, its EINECS is 406-760-3.

Physical properties of 2,3,4,5-Tetrachlorobenzoyl chloride: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 56.07 cm3; (9)Molar Volume: 163.6 cm3; (10)Polarizability: 22.23×10-24cm3; (11)Surface Tension: 49.7 dyne/cm; (12)Enthalpy of Vaporization: 54.88 kJ/mol; (13)Vapour Pressure: 0.000695 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2,3,4,5-Tetrachlorobenzoyl chloride is harmful if swallowed. It may cause burns and it may sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cc(Cl)c(Cl)c1Cl)C(Cl)=O
(2)InChI: InChI=1/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H
(3)InChIKey: IROWIXYGGPOJFJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H
(5)Std. InChIKey: IROWIXYGGPOJFJ-UHFFFAOYSA-N