2-Pyridinecarbonitrile,3-bromo-6-methyl- supplier

Name
3-Bromo-2-cyano-6-methylpyridine
EINECS
CAS No. 717843-48-6
Article Data8
CAS DataBase
Density 1.613 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂
Boiling Point 299.304 °C at 760 mmHg
Molecular Weight 197.034
Flash Point 134.815 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-6-methylpyridine-1-oxide;
PSA 36.68000
LogP 2.02418

2-Pyridinecarbonitrile,3-bromo-6-methyl- Specification

This chemical is called 2-Pyridinecarbonitrile,3-bromo-6-methyl-, and its systematic name is 3-Bromo-6-methylpyridine-2-carbonitrile. With the molecular formula of C₇H₅BrN₂, its molecular weight is 197.03. The CAS registry number of this chemical is 717843-48-6.

Other characteristics of the 2-Pyridinecarbonitrile,3-bromo-6-methyl- can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 226; (8)ACD/KOC (pH 7.4): 226; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 41.463 cm³; (15)Molar Volume: 122.129 cm³; (16)Polarizability: 16.437×10^-24cm³; (17)Surface Tension: 58.601 dyne/cm; (18)Density: 1.613 g/cm³; (19)Flash Point: 134.815 °C; (20)Enthalpy of Vaporization: 53.929 kJ/mol; (21)Boiling Point: 299.304 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(C)nc1C#N
2.InChI: InChI=1/C7H5BrN2/c1-5-2-3-6(8)7(4-9)10-5/h2-3H,1H3
3.InChIKey: ARSYSTQQVJUEBW-UHFFFAOYAE

Product Name

3-Bromo-2-cyano-6-methylpyridine

2-Pyridinecarbonitrile,3-bromo-6-methyl- Specification

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