2-Bromo-5-cyano-3-picoline supplier

Name
2-Bromo-5-cyano-3-picoline
EINECS
CAS No. 374633-37-1
Density 1.61 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂
Boiling Point 291.5 °C at 760 mmHg
Molecular Weight 197.034
Flash Point 130.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-5-methylnicotinonitrile;3-pyridinecarbonitrile, 6-bromo-5-methyl-;6-Bromo-5-methylnicotinonitrile;
PSA 36.68000
LogP 2.02418

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

Product Name

2-Bromo-5-cyano-3-picoline

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

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