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CAS No.: | 156001-51-3 |
---|---|
Name: | 5-BROMO-2-METHYLBENZONITRILE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H6BrN |
Molecular Weight: | 196.046 |
Synonyms: | 3-Bromo-6-methylbenzonitrile;5-Bromo-2-methylbenzonitrile; |
Density: | 1.517 g/cm3 |
Melting Point: | 47-51 °C |
Boiling Point: | 250.594 °C at 760 mmHg |
Flash Point: | 105.356 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 23.79000 |
LogP: | 2.62918 |
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The Benzonitrile,5-bromo-2-methyl- is an organic compound with the formula C8H6BrN. The IUPAC name of this chemical is 5-Bromo-2-methylbenzonitrile. With the CAS registry number 156001-51-3, it is also named as 3-Bromo-6-methylbenzonitrile. The product's categories are Aromatic Nitriles; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Besides, it should be stroed at room temperature.
Physical properties about Benzonitrile,5-bromo-2-methyl- are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 56; (5)ACD/BCF (pH 7.4): 56; (6)ACD/KOC (pH 5.5): 617; (7)ACD/KOC (pH 7.4): 617; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79 Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 43.664 cm3; (12)Molar Volume: 129.248 cm3; (13)Polarizability: 17.31×10-24 cm3; (14)Surface Tension: 49.228 dyne/cm; (15)Density: 1.517 g/cm3; (16)Flash Point: 105.356 °C; (17)Enthalpy of Vaporization: 48.787 kJ/mol; (18)Boiling Point: 250.594 °C at 760 mmHg; (19)Vapour Pressure: 0.021 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
(2)InChIKey: WNVUTFDOGUGEIS-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
(4)Std. InChIKey: WNVUTFDOGUGEIS-UHFFFAOYSA-N