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Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]-

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Name

Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]-

EINECS N/A
CAS No. 787-57-5 Density 1.511 g/cm3
PSA 84.15000 LogP 3.04800
Solubility N/A Melting Point 94-96 °C
Formula C9H7F3N2O4 Boiling Point 381.3 °C at 760 mmHg
Molecular Weight 264.16 Flash Point 184.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 787-57-5 (2-NITRO-4-(TRIFLUOROMETHOXY)ACETANILIDE) Hazard Symbols IrritantXi
Synonyms

N-(2-Nitro-4-trifluoromethoxyphenyl)acetamide;p-Acetanisidide,a,a,a-trifluoro-2'-nitro- (6CI,8CI);ZINC04289473;AC1MCQGU;Maybridge1_000145;AC1Q1KZ3;MixCom1_000277;MolPort-000-146-923;CID2775771;TL00369;2-Nitro-4-(trifluoromethoxy)acetanilide;N1-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide;

Article Data 5

Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]- Specification

The Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]- with CAS registry number of 787-57-5 is also known as 2-Nitro-4-(trifluoromethoxy)acetanilide. The IUPAC name is N-[2-Nitro-4-(trifluoromethoxy)phenyl]acetamide. In addition, the formula is C9H7F3N2O4 and the molecular weight is 264.16.

Physical properties about Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.05; (6)ACD/BCF (pH 7.4): 36.05; (7)ACD/KOC (pH 5.5): 452.97; (8)ACD/KOC (pH 7.4): 452.96; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.36Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 54.2 cm3; (15)Molar Volume: 174.7 cm3; (16)Polarizability: 21.48×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 62.96 kJ/mol; (21)Boiling Point: 381.3 °C at 760 mmHg; (22)Vapour Pressure: 5.11E-06 mmHg at 25 °C.

When you are using Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]-, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: FC(F)(F)Oc1ccc(c(c1)[N+]([O-])=O)NC(=O)C
2. InChI: InChI=1/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15)
3. InChIKey: UCLBQTSVYJDQRU-UHFFFAOYAM
4. Std. InChI: InChI=1S/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15)
5. Std. InChIKey: UCLBQTSVYJDQRU-UHFFFAOYSA-N

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