CAS No.105942-09-4,2-Fluoro-4-cyanobenzyl bromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105942-09-4
Name:	2-Fluoro-4-cyanobenzyl bromide
Article Data:	18

Formula:	C₈H₅BrFN
Molecular Weight:	214.037
Synonyms:	2-Fluoro-4-cyanobenzylbromide;4-(Bromomethyl)-3-fluorobenzonitrile;4-Cyano-2-fluorobenzyl bromide;2-Methyl-3-bromo-5-fluorobenzonitrile;
Density:	1.59 g/cm³
Melting Point:	77 °C
Boiling Point:	276.4 °C at 760 mmHg
Flash Point:	121 °C
Hazard Symbols:	C
Risk Codes:	C:Corrosive/Lachrymatory;<"> C:Corrosive/Lachrymatory;<
PSA:	23.79000
LogP:	2.59228

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Specification

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