Acetamide,N-[4-bromo-3-(trifluoromethyl)phenyl]- supplier

Name
4-BROMO-3-(TRIFLUOROMETHYL)ACETANILIDE
EINECS
CAS No. 41513-05-7
Article Data6
CAS DataBase
Density 1.637 g/cm³
Solubility
Melting Point 116-119 °C
Formula C₉H₇BrF₃NO
Boiling Point 333.8 °C at 760 mmHg
Molecular Weight 282.06
Flash Point 155.7 °C
Transport Information
Appearance powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-[4-Bromo-3-(trifluoromethyl)phenyl]acetamide;5-Acetamido-2-bromobenzotrifluoride;ZINC00074572;AC1Q4JLI;Maybridge4_003018;AC1LF57X;MolPort-001-772-056;HMS1529J04;AR-1G6922;CID697838;4'-Bromo-3'-(trifluoromethyl)acetanilide 98%;4'-Bromo-3'-(trifluoromethyl)acetanilide;
PSA 29.10000
LogP 3.49930

Acetamide,N-[4-bromo-3-(trifluoromethyl)phenyl]- Specification

The Acetamide,N-[4-bromo-3-(trifluoromethyl)phenyl]- with CAS registry number of 41513-05-7 is also known as 5-Acetamido-2-bromobenzotrifluoride. The IUPAC name is N-[4-Bromo-3-(trifluoromethyl)phenyl]acetamide. This chemical is powder. In addition, the formula is C₉H₇BrF₃NO and the molecular weight is 282.06.

Physical properties about Acetamide,N-[4-bromo-3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 187.94; (6)ACD/BCF (pH 7.4): 187.94; (7)ACD/KOC (pH 5.5): 1476.91; (8)ACD/KOC (pH 7.4): 1476.91; (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: 155.7 °C; (20)Enthalpy of Vaporization: 57.67 kJ/mol; (21)Boiling Point: 333.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25 °C.

When you are using Acetamide,N-[4-bromo-3-(trifluoromethyl)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, 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: FC(F)(F)c1cc(ccc1Br)NC(=O)C
2. InChI: InChI=1/C9H7BrF3NO/c1-5(15)14-6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3,(H,14,15)
3. InChIKey: AOHSBSXIGFIMNC-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C9H7BrF3NO/c1-5(15)14-6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3,(H,14,15)
5. Std. InChIKey: AOHSBSXIGFIMNC-UHFFFAOYSA-N

Product Name

4-BROMO-3-(TRIFLUOROMETHYL)ACETANILIDE

Acetamide,N-[4-bromo-3-(trifluoromethyl)phenyl]- Specification

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