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

Name
2-NITRO-4-(TRIFLUOROMETHOXY)ACETANILIDE
EINECS
CAS No. 787-57-5
Article Data5
CAS DataBase
Density 1.511 g/cm³
Solubility
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
Appearance
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;
PSA 84.15000
LogP 3.04800

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

Product Name

2-NITRO-4-(TRIFLUOROMETHOXY)ACETANILIDE

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

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