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

Name
4-NITRO-2-(TRIFLUOROMETHYL)ACETANILIDE
EINECS
CAS No. 395-68-6
Article Data5
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point 146-150 °C
Formula C₉H₇F₃N₂O₃
Boiling Point 371.8 °C at 760 mmHg
Molecular Weight 248.161
Flash Point 178.7 °C
Transport Information
Appearance
Safety 37/39
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms o-Acetotoluidide,a,a,a-trifluoro-4'-nitro- (6CI,7CI,8CI);N-(4-Nitro-2-trifluoromethylphenyl)acetamide;N1-[4-Nitro-2-(trifluoromethyl)phenyl]acetamide;4'-Nitro-2'-(trifluoromethyl)acetanilide;2-Acetamido-5-nitrobenzotrifluoride;4'-Nitro-2'-(trifluoromethyl)acetanilide 97%;4'-Nitro-2'-(trifluoromethyl)acetanilide97%;
PSA 74.92000
LogP 3.16820

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

The Acetamide,N-[4-nitro-2-(trifluoromethyl)phenyl]- with CAS registry number of 395-68-6 is also known as 4'-Nitro-2'-(trifluoromethyl)acetanilide. The systematic name is N-(4-Nitro-2-trifluoromethylphenyl)acetamide. It belongs to product categories of Nitrogen Compounds; Organic Building Blocks; Protected Amines. In addition, the formula is C₉H₇F₃N₂O₃ and the molecular weight is 248.16.

Physical properties about Acetamide,N-[4-nitro-2-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.41; (6)ACD/BCF (pH 7.4): 10.41; (7)ACD/KOC (pH 5.5): 186.21; (8)ACD/KOC (pH 7.4): 186.21; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 52.05 cm³; (15)Molar Volume: 167.8 cm³; (16)Polarizability: 20.63×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.478 g/cm³; (19)Flash Point: 178.7 °C; (20)Enthalpy of Vaporization: 61.89 kJ/mol; (21)Boiling Point: 371.8 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-05 mmHg at 25 °C.

When you are using Acetamide,N-[4-nitro-2-(trifluoromethyl)phenyl]-, please be cautious about it. As a chemical, it may cause sensitisation by skin contact. During using it, wear suitable gloves and eye/face protection. Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(Nc1ccc(cc1C(F)(F)F)[N+]([O-])=O)
2. InChI: InChI=1/C9H7F3N2O3/c1-5(15)13-8-3-2-6(14(16)17)4-7(8)9(10,11)12/h2-4H,1H3,(H,13,15)
3. InChIKey: RBEVUHKSMGYLIF-UHFFFAOYAN
4. Std. InChI: InChI=1S/C9H7F3N2O3/c1-5(15)13-8-3-2-6(14(16)17)4-7(8)9(10,11)12/h2-4H,1H3,(H,13,15)
5. Std. InChIKey: RBEVUHKSMGYLIF-UHFFFAOYSA-N

Product Name

4-NITRO-2-(TRIFLUOROMETHYL)ACETANILIDE

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

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