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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 | Hazard Symbols | Xi | |
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 |
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