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2-Cyano-5-bromomethylpyridine

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Name

2-Cyano-5-bromomethylpyridine

EINECS N/A
CAS No. 308846-06-2 Density 1.607 g/cm3
PSA 36.68000 LogP 1.84818
Solubility N/A Melting Point N/A
Formula C7H5BrN2 Boiling Point 329.5 ºC at 760 mmHg
Molecular Weight 197.034 Flash Point 153.1 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 308846-06-2 (2-Cyano-5-bromomethylpyridine) Hazard Symbols N/A
Synonyms

5-(Bromomethyl)-2-pyridinecarbonitrile;5-(Bromomethyl)pyridin-2-carbonitrile;5-Bromomethyl-2-cyanopyridine;

Article Data 13

2-Cyano-5-bromomethylpyridine Specification

The 2-Cyano-5-bromomethylpyridine, with its CAS registry number 308846-06-2, has the systematic name of 5-(bromomethyl)pyridine-2-carbonitrile. And its product categories are including Methyl Halides; Pyridines; Methyl Halides.

The characteristics of Styron G 9001 are as follows: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 109; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 41.471 cm3; (15)Molar Volume: 122.586 cm3; (16)Polarizability: 16.44×10-24 cm3; (17)Surface Tension: 58.973 dyne/cm; (18)Density: 1.607 g/cm3; (19)Flash Point: 153.087 °C; (20)Enthalpy of Vaporization: 57.201 kJ/mol; (21)Boiling Point: 329.518 °C at 760 mmHg.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#Cc1ccc(CBr)cn1
(2)InChI:InChI=1/C7H5BrN2/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3H2
(3)InChIKey:VEPVNICICSNYPW-UHFFFAOYAJ

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