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

Name
2'-BROMO-4'-(TRIFLUOROMETHYL)ACETANILIDE 98
EINECS
CAS No. 175135-49-6
Article Data7
CAS DataBase
Density 1.637 g/cm³
Solubility
Melting Point 144-146 °C
Formula C₉H₇BrF₃NO
Boiling Point 324.2 °C at 760 mmHg
Molecular Weight 282.06
Flash Point 149.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-[2-Bromo-4-(trifluoromethyl)phenyl]acetamide;N1-[2-Bromo-4-(trifluoromethyl)phenyl]acetamide;2'-Bromo-4'-(trifluoromethyl)acetanilide;2'-Bromo-4'-(trifluoromethyl)acetanilide 98%;4-Acetamido-3-bromobenzotrifluoride;Acetanilide, 2'-bromo-4'-(trifluoromethyl)-;
PSA 29.10000
LogP 3.49930

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

The Acetamide,N-[2-bromo-4-(trifluoromethyl)phenyl]- with CAS registry number of 175135-49-6 is also known as Acetanilide, 2'-bromo-4'-(trifluoromethyl)-. The systematic name is N-[2-Bromo-4-(trifluoromethyl)phenyl]acetamide. In addition, the formula is C₉H₇BrF₃NO and the molecular weight is 282.06.

Physical properties about Acetamide,N-[2-bromo-4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.25; (6)ACD/BCF (pH 7.4): 44.25; (7)ACD/KOC (pH 5.5): 524.49; (8)ACD/KOC (pH 7.4): 524.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 53.19 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 21.08×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.637 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 56.62 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000249 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: Brc1cc(ccc1NC(=O)C)C(F)(F)F
2. InChI: InChI=1/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
3. InChIKey: SSPBNPXYQLCJTA-UHFFFAOYAB
4. Std. InChI: InChI=1S/C9H7BrF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)
5. Std. InChIKey: SSPBNPXYQLCJTA-UHFFFAOYSA-N

Product Name

2'-BROMO-4'-(TRIFLUOROMETHYL)ACETANILIDE 98

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

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