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CAS No.: | 308846-06-2 |
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Name: | 2-Cyano-5-bromomethylpyridine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H5BrN2 |
Molecular Weight: | 197.034 |
Synonyms: | 5-(Bromomethyl)-2-pyridinecarbonitrile;5-(Bromomethyl)pyridin-2-carbonitrile;5-Bromomethyl-2-cyanopyridine; |
Density: | 1.607 g/cm3 |
Boiling Point: | 329.5 ºC at 760 mmHg |
Flash Point: | 153.1 ºC |
PSA: | 36.68000 |
LogP: | 1.84818 |
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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