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CAS No.: | 83004-15-3 |
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Name: | 4-(BROMOMETHYL)-2-CHLOROPYRIDINE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H5BrClN |
Molecular Weight: | 206.469 |
Synonyms: | 2-Chloro-4-bromomethylpyridine;4-(Bromomethyl)-2-chloropyridine; |
Density: | 1.663 g/cm3 |
Boiling Point: | 264.4 °C at 760 mmHg |
Flash Point: | 113.7 °C |
PSA: | 12.89000 |
LogP: | 2.62990 |
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This chemical is called Pyridine,4-(bromomethyl)-2-chloro-, and it can also be named as 4-(Bromomethyl)-2-chloropyridine. With the molecular formula of C6H5BrClN, its molecular weight is 206.47. The CAS registry number of this chemical is 83004-15-3.
Other characteristics of the Pyridine,4-(bromomethyl)-2-chloro- can be summarised as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.15; (6)ACD/BCF (pH 7.4): 23.15; (7)ACD/KOC (pH 5.5): 329.85; (8)ACD/KOC (pH 7.4): 329.85; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 41.88 cm3; (15)Molar Volume: 124.1 cm3; (16)Polarizability: 16.6×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.663 g/cm3; (19)Flash Point: 113.7 °C; (20)Enthalpy of Vaporization: 48.2 kJ/mol; (21)Boiling Point: 264.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCc1ccnc(Cl)c1
2.InChI: InChI=1/C6H5BrClN/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2
3.InChIKey: JNWWUDOYVBWQJP-UHFFFAOYAQ