Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Fluoro-4-cyanobenzyl bromide |
EINECS | N/A |
CAS No. | 105942-09-4 | Density | 1.59 g/cm3 |
PSA | 23.79000 | LogP | 2.59228 |
Solubility | N/A | Melting Point |
77 °C |
Formula | C8H5BrFN | Boiling Point | 276.4 °C at 760 mmHg |
Molecular Weight | 214.037 | Flash Point | 121 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | C:Corrosive/Lachrymatory;< | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
2-Fluoro-4-cyanobenzylbromide;4-(Bromomethyl)-3-fluorobenzonitrile;4-Cyano-2-fluorobenzyl bromide;2-Methyl-3-bromo-5-fluorobenzonitrile; |
Article Data | 18 |
The CAS registry number of Benzonitrile,4-(bromomethyl)-3-fluoro- is 105942-09-4. The IUPAC name is 4-(bromomethyl)-3-fluorobenzonitrile. In addition, the molecular formula is C8H5BrFN and the molecular weight is 214.03. What's more, it belongs to the classes of Aromatic Halides (substituted); Methyl Halides. And it should be stored in a cool and dry place.
Physical properties about Benzonitrile,4-(bromomethyl)-3-fluoro- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.14; (6)ACD/BCF (pH 7.4): 26.14; (7)ACD/KOC (pH 5.5): 359.81; (8)ACD/KOC (pH 7.4): 359.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 43.78 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 17.35 ×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.59 g/cm3; (19)Flash Point: 121 °C; (20)Enthalpy of Vaporization: 51.49 kJ/mol; (21)Boiling Point: 276.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00481 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(C#N)cc1F
(2)InChI: InChI=1/C8H5BrFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
(3)InChIKey: ZESZAIOGACKOMB-UHFFFAOYAC