6-(Bromomethyl)-2-pyridinecarbonitrile supplier

Name
6-BROMOMETHYL-2-CYANOPYRIDINE
EINECS
CAS No. 104508-24-9
Article Data5
CAS DataBase
Density 1.607 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂
Boiling Point 292.725 °C at 760 mmHg
Molecular Weight 197.034
Flash Point 130.836 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Bromomethyl)-6-cyanopyridine;6-Bromomethylpyridine-2-carbonitrile;2-Pyridinecarbonitrile,6-(bromomethyl)-;
PSA 36.68000
LogP 1.84818

6-(Bromomethyl)-2-pyridinecarbonitrile Specification

6-(Bromomethyl)-2-pyridinecarbonitrile is an organic compound with the formula C₇H₅BrN₂, and its systematic name is the same with the product name. With the CAS registry number 104508-24-9, it is also named as 2-Pyridinecarbonitrile,6-(bromomethyl)-. In addition, the molecular weight is 197.03.

Physical properties of 6-(Bromomethyl)-2-pyridinecarbonitrile are: (1)ACD/LogP: 1.406; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.90; (6)ACD/BCF (pH 7.4): 6.90; (7)ACD/KOC (pH 5.5): 138.68; (8)ACD/KOC (pH 7.4): 138.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 41.471 cm³; (15)Molar Volume: 122.586 cm³; (16)Polarizability: 16.44×10^-24cm³; (17)Surface Tension: 58.97 dyne/cm; (18)Density: 1.607 g/cm³; (19)Flash Point: 130.836 °C; (20)Enthalpy of Vaporization: 53.225 kJ/mol; (21)Boiling Point: 292.725 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1)C#N)CBr
(2)Std. InChI: InChI=1S/C7H5BrN2/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4H2
(3)Std. InChIKey: SQLZGKYMIUGRCL-UHFFFAOYSA-N

Product Name

6-BROMOMETHYL-2-CYANOPYRIDINE

6-(Bromomethyl)-2-pyridinecarbonitrile Specification

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