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| CAS No.: | 175278-17-8 |
|---|---|
| Name: | 2-Bromo-4-trifluoromethoxyaniline |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5BrF3NO |
| Molecular Weight: | 256.022 |
| Synonyms: | 2-Bromo-4-(trifluoromethyloxy)aniline; |
| Density: | 1.726 g/cm3 |
| Boiling Point: | 221.9 °C at 760 mmHg |
| Flash Point: | 88 °C |
| Appearance: | clear light yellow to orange-yellow liquid |
| Hazard Symbols: |
 Xi,  T
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 35.25000 |
| LogP: | 3.51110 |
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Specification
The Benzenamine,2-bromo-4-(trifluoromethoxy)-, with CAS registry number 175278-17-8, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)FluoroCompounds; (4)NitroCompounds; (5)Anilines, Aromatic Amines and Nitro Compounds; (6)Amines; (7)C7; (8)Nitrogen Compounds. It has the systematic name of 2-bromo-4-(trifluoromethoxy)aniline. This chemical is a kind of clear light yellow to orange-yellow liquid.
Physical properties of Benzenamine,2-bromo-4-(trifluoromethoxy)-: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 45.31 cm3; (9)Molar Volume: 148.2 cm3; (10)Polarizability: 17.96×10-24cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Enthalpy of Vaporization: 45.83 kJ/mol; (13)Vapour Pressure: 0.105 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-bromo-4-(trifluoromethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(OC(F)(F)F)ccc1N
(2)InChI: InChI=1/C7H5BrF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
(3)InChIKey: ROSTYHNIIDIBEG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5BrF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
(5)Std. InChIKey: ROSTYHNIIDIBEG-UHFFFAOYSA-N