3-Bromo-5-(trifluoromethyl)benzonitrile supplier

Name
3-Bromo-5-cyanobenzotrifluoride
EINECS
CAS No. 691877-03-9
Article Data2
CAS DataBase
Density 1.719 g/cm³
Solubility
Melting Point
Formula C₈H₃BrF₃N
Boiling Point 216.039 °C at 760 mmHg
Molecular Weight 250.018
Flash Point 84.458 °C
Transport Information
Appearance
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;
PSA 23.79000
LogP 3.33958

3-Bromo-5-(trifluoromethyl)benzonitrile Specification

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

Product Name

3-Bromo-5-cyanobenzotrifluoride

3-Bromo-5-(trifluoromethyl)benzonitrile Specification

Related Products

Hot Products