Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-5-(trifluoromethyl)benzonitrile |
EINECS | N/A |
CAS No. | 691877-03-9 | Density | 1.719 g/cm3 |
PSA | 23.79000 | LogP | 3.33958 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H3BrF3N | Boiling Point | 216.039 °C at 760 mmHg |
Molecular Weight | 250.018 | Flash Point | 84.458 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Bromo-5-(trifluoromethyl)benzonitrile;Benzonitrile, 3-bromo-5-(trifluoromethyl)-;5-bromo-3-(trifluoromethyl)benzenecarbonitrile;3-Bromo-5-trifluoromethylbenzonitrile; |
Article Data | 2 |
The 3-Bromo-5-cyanobenzotrifluoride, with the CAS registry number 691877-03-9, is also known as Benzonitrile, 3-bromo-5-(trifluoromethyl)-. This chemical's molecular formula is C8H3BrF3N and formula weight is 250.02. What's more, its IUPAC name is 3-bromo-5-(trifluoromethyl)benzonitrile. It is irritant.
Physical properties of 3-Bromo-5-cyanobenzotrifluoride are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)Polar Surface Area: 23.79 Å2; (6)Index of Refraction: 1.517; (7)Molar Refractivity: 44.032 cm3; (8)Molar Volume: 145.437 cm3; (9)Surface Tension: 40.139 dyne/cm; (10)Density: 1.719 g/cm3; (11)Flash Point: 84.458 °C; (12)Enthalpy of Vaporization: 45.239 kJ/mol; (13)Boiling Point: 216.039 °C at 760 mmHg; (14)Vapour Pressure: 0.143 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(C#N)cc(Br)c1
(2)InChI: InChI=1S/C8H3BrF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
(3)InChIKey: KZFVJLGAVFCPAZ-UHFFFAOYSA-N