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Chlorodifluoroacetamide

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Name

Chlorodifluoroacetamide

EINECS 206-555-7
CAS No. 354-28-9 Density 1.529 g/cm3
PSA 43.09000 LogP 1.00360
Solubility N/A Melting Point 79-81 °C(lit.)
Formula C2H2ClF2NO Boiling Point 188.7 °C at 760 mmHg
Molecular Weight 129.494 Flash Point 67.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 354-28-9 (Chlorodifluoroacetamide) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

2-Chloro-2,2-difluoroacetamide;Acetamide,2-chloro-2,2-difluoro-;NSC 9448;

 

Chlorodifluoroacetamide Specification

The Chlorodifluoroacetamide, with the CAS registry number 354-28-9, is also known as Acetamide,2-chloro-2,2-difluoro-. Its EINECS number is 206-555-7. This chemical's molecular formula is C2H2ClF2NO and molecular weight is 129.49. What's more, its systematic name is 2-chloro-2,2-difluoroacetamide.

Physical properties of Chlorodifluoroacetamide are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/BCF (pH 5.5): 1.59; (5)ACD/KOC (pH 5.5): 48.49; (6)ACD/KOC (pH 7.4): 48.48; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.388; (12)Molar Refractivity: 20.02 cm3; (13)Molar Volume: 84.6 cm3; (14)Surface Tension: 30.1 dyne/cm; (15)Density: 1.529 g/cm3; (16)Flash Point: 67.9 °C; (17)Enthalpy of Vaporization: 42.49 kJ/mol; (18)Boiling Point: 188.7 °C at 760 mmHg; (19)Vapour Pressure: 0.591 mmHg at 25°C.

Uses of Chlorodifluoroacetamide: it can be used to produce 2-chloro-N-[(2-chloro-2,2-difluoro-acetylamino)-phenyl-methyl]-2,2-difluoro-acetamide at the temperature of 5 °C. It will need reagent CF3SO3H and solvent CH2Cl2 with the reaction time of 24 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)(C(F)(F)Cl)N
(2)InChI: InChI=1S/C2H2ClF2NO/c3-2(4,5)1(6)7/h(H2,6,7)
(3)InChIKey: PSAKKOKLSDIKEK-UHFFFAOYSA-N

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