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3-Chloro-2,6-difluorobenzoyl chloride

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Name

3-Chloro-2,6-difluorobenzoyl chloride

EINECS -0
CAS No. 261762-43-0 Density 1.548g/cm3
PSA 17.07000 LogP 2.99720
Solubility N/A Melting Point N/A
Formula C7H2Cl2F2O Boiling Point 203.9°C at 760mmHg
Molecular Weight 210.995 Flash Point 77.1°C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 261762-43-0 (3-CHLORO-2,6-DIFLUOROBENZOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

3-Chloro-2,6-difluorobenzoylchloride;

 

3-Chloro-2,6-difluorobenzoyl chloride Specification

The Systematic name about this chemical is 3-chloro-2,6-difluorobenzoyl chloride. The cas register number of 3-Chloro-2,6-difluorobenzoyl chloride is 261762-43-0. It also can be called as Benzoyl chloride, 3-chloro-2,6-difluoro-. with pyridine (1:1).

Physical properties about 3-Chloro-2,6-difluorobenzoyl chloride are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.73; (6)ACD/BCF (pH 7.4): 36.73; (7)ACD/KOC (pH 5.5): 459.05; (8)ACD/KOC (pH 7.4): 459.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 41.37 cm3; (15)Molar Volume: 136.2 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.548 g/cm3; (18)Flash Point: 77.1 °C; (19)Enthalpy of Vaporization: 44.01 kJ/mol; (20)Boiling Point: 203.9 °C at 760 mmHg; (21)Vapour Pressure: 0.271 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.SMILES: Fc1c(C(Cl)=O)c(F)ccc1Cl
2.InChI: InChI=1/C7H2Cl2F2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H
3.InChIKey: LUTDLSSUGZTZBP-UHFFFAOYAW
4.Std. InChI: InChI=1S/C7H2Cl2F2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H

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