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Acetamide,2,2-dichloro-N-2-propen-1-yl-N-[3-(trifluoromethyl)phenyl]- (61219-95-2)

Identification
Name:Acetamide,2,2-dichloro-N-2-propen-1-yl-N-[3-(trifluoromethyl)phenyl]-
Synonyms:Acetamide,2,2-dichloro-N-2-propenyl-N-[3-(trifluoromethyl)phenyl]- (9CI);
CAS:61219-95-2
EINECS: 262-669-7
Molecular Formula: C12H10Cl2F3NO
Molecular Weight: 312.11
InChI: InChI=1/C12H10Cl2F3NO/c1-2-6-18(11(19)10(13)14)9-5-3-4-8(7-9)12(15,16)17/h2-5,7,10H,1,6H2
Molecular Structure: (C12H10Cl2F3NO) Acetamide,2,2-dichloro-N-2-propenyl-N-[3-(trifluoromethyl)phenyl]- (9CI);
Properties
Transport:UN 3077 9/PG 3
Melting Point: 78-80 °C(lit.)
Boiling Point: 221 °C(lit.)
Density:1.382 g/cm3
Refractive index:1.521
Specification:

The cas register number of N-Allyl-2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide is 61219-95-2. It also can be called as acetamide, 2,2-dichloro-N-2-propen-1-yl-N-[3-(trifluoromethyl)phenyl]- and the Systematic name about this chemical is 2,2-dichloro-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Physical properties about N-Allyl-2,2-dichloro-N-[3-(trifluoromethyl)phenyl]acetamide are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 656.7; (6)ACD/BCF (pH 7.4): 656.7; (7)ACD/KOC (pH 5.5): 3616.37; (8)ACD/KOC (pH 7.4): 3616.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 68.85 cm3; (15)Molar Volume: 225.8 cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.382 g/cm3; (18)Flash Point: 152.9 °C; (19)Enthalpy of Vaporization: 57.16 kJ/mol; (20)Boiling Point: 329.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000181 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Limited evidence of a carcinogenic effect. People must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(N(c1cc(ccc1)C(F)(F)F)C\C=C)C(Cl)Cl
2.InChI: InChI=1/C12H10Cl2F3NO/c1-2-6-18(11(19)10(13)14)9-5-3-4-8(7-9)12(15,16)17/h2-5,7,10H,1,6H2
3.InChIKey: WWINJKYFUBEFBE-UHFFFAOYAT
4.Std. InChI: InChI=1S/C12H10Cl2F3NO/c1-2-6-18(11(19)10(13)14)9-5-3-4-8(7-9)12(15,16)17/h2-5,7,10H,1,6H2

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