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Acetanilide, 4'-methoxy-2,2,2-trifluoro-

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Name

Acetanilide, 4'-methoxy-2,2,2-trifluoro-

EINECS N/A
CAS No. 332-34-3 Density 1.345 g/cm3
PSA 38.33000 LogP 2.26900
Solubility N/A Melting Point N/A
Formula C9H8F3NO2 Boiling Point 289.4 °C at 760 mmHg
Molecular Weight 219.163 Flash Point 128.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 332-34-3 (2,2,2-Trifluoro-4'-Methoxyacetanilide, 97%) Hazard Symbols N/A
Synonyms

p-Methoxytrifluoroacetanilide;2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide (IM OCS);2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide;Acetanilide, 4-methoxy-2,2,2-trifluoro-;2,2,2-Trifluoro-p-acetanisidide;p-Acetanisidide, 2,2,2-trifluoro- (8CI);Acetamide, N-(4-methoxyphenyl)-2,2,2-trifluoro-;

Article Data 32

Acetanilide, 4'-methoxy-2,2,2-trifluoro- Specification

The Acetanilide, 4'-methoxy-2,2,2-trifluoro-, with the CAS registry number 332-34-3, is also known as 4-Methoxy-2,2,2-trifluoroacetanilide. This chemical's molecular formula is C9H8F3NO2 and molecular weight is 219.16. What's more, its systematic name is 2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide. Its classification code is Drug/Therapeutic Agent. 

Physical properties of Acetanilide, 4'-methoxy-2,2,2-trifluoro- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/BCF (pH 5.5): 28.69; (5)ACD/BCF (pH 7.4): 28.45; (6)ACD/KOC (pH 5.5): 384.67; (7)ACD/KOC (pH 7.4): 381.44; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 47.66 cm3; (14)Molar Volume: 162.9 cm3; (15)Polarizability: 18.89×10-24cm3; (16)Surface Tension: 33.2 dyne/cm; (17)Density: 1.345 g/cm3; (18)Flash Point: 128.9 °C; (19)Enthalpy of Vaporization: 52.88 kJ/mol; (20)Boiling Point: 289.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)NC(=O)C(F)(F)F
(2)InChI: InChI=1S/C9H8F3NO2/c1-15-7-4-2-6(3-5-7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
(3)InChIKey: OUTSPSLYNAJENA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 984mg/kg (984mg/kg)   Farmaco, Edizione Scientifica. Vol. 39, Pg. 403, 1984.

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