6-(Bromomethyl)nicotinonitrile supplier

Name
6-Bromomethyl-nicotinonitrile
EINECS
CAS No. 158626-15-4
Article Data15
CAS DataBase
Density 1.607 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂
Boiling Point 286.459 °C at 760 mmHg
Molecular Weight 197.034
Flash Point 127.046 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromomethyl-nicotinonitrile;
PSA 36.68000
LogP 1.84818

6-(Bromomethyl)nicotinonitrile Specification

The CAS registry number of 3-Pyridinecarbonitrile, 6-(bromomethyl)- is 158626-15-4. This chemical's molecular formula is C₇H₅BrN₂ and molecular weight is 195.96. What's more, its systematic name is called 6-(Bromomethyl)nicotinonitrile.

Physical properties about 3-Pyridinecarbonitrile, 6-(bromomethyl)- are: (1)ACD/LogP: 1.302; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.30; (4)ACD/LogD (pH 7.4): 1.30; (5)ACD/BCF (pH 5.5): 5.75; (6)ACD/BCF (pH 7.4): 5.75; (7)ACD/KOC (pH 5.5): 121.71; (8)ACD/KOC (pH 7.4): 121.71; (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: 1.592; (14)Molar Refractivity: 41.471 cm³; (15)Molar Volume: 122.586 cm³; (16)Polarizability: 16.44×10^-24cm³; (17)Surface Tension: 58.973 dyne/cm; (18) Density: 1.607 g/cm³; (19)Flash Point: 127.046 °C; (20)Enthalpy of Vaporization: 52.557 kJ/mol; (21)Boiling Point: 286.459 °C at 760 mmHg; (22)Vapour Pressure: 0.0030 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(C#N)cn1
(2) InChI: InChI=1S/C7H5BrN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
(3) InChIKey: QWCGOMIAXFNYIV-UHFFFAOYSA-N

Product Name

6-Bromomethyl-nicotinonitrile

6-(Bromomethyl)nicotinonitrile Specification

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