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| CAS No.: | 332-34-3 |
|---|---|
| Name: | 2,2,2-Trifluoro-4'-Methoxyacetanilide, 97% |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C9H8F3NO2 |
| Molecular Weight: | 219.163 |
| 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-; |
| Density: | 1.345 g/cm3 |
| Boiling Point: | 289.4 °C at 760 mmHg |
| Flash Point: | 128.9 °C |
| PSA: | 38.33000 |
| LogP: | 2.26900 |
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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. |