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2-Bromo-5-cyano-3-picoline

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Name

2-Bromo-5-cyano-3-picoline

EINECS N/A
CAS No. 374633-37-1 Density 1.61 g/cm3
PSA 36.68000 LogP 2.02418
Solubility N/A Melting Point N/A
Formula C7H5BrN2 Boiling Point 291.5 °C at 760 mmHg
Molecular Weight 197.034 Flash Point 130.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 374633-37-1 (2-Bromo-5-cyano-3-picoline) Hazard Symbols N/A
Synonyms

6-Bromo-5-methylnicotinonitrile;3-pyridinecarbonitrile, 6-bromo-5-methyl-;6-Bromo-5-methylnicotinonitrile;

 

2-Bromo-5-cyano-3-picoline Specification

The 3-Pyridinecarbonitrile,6-bromo-5-methyl-, with the CAS registry number 374633-37-1, has the systematic name of 6-Bromo-5-methylnicotinonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H5BrN2.

The characteristics of 3-Pyridinecarbonitrile,6-bromo-5-methyl- are as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.77; (6)ACD/BCF (pH 7.4): 12.77; (7)ACD/KOC (pH 5.5): 215.54; (8)ACD/KOC (pH 7.4): 215.54; (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: 41.46 cm3; (15)Molar Volume: 122.1 cm3; (16)Polarizability: 16.43×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 53.1 kJ/mol; (21)Boiling Point: 291.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00194 mmHg at 25°C.     

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(cnc1Br)C#N
(2)InChI: InChI=1/C7H5BrN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3
(3)InChIKey: JECOSEMUVCECAL-UHFFFAOYAE

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