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54751-01-8

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Basic Information
CAS No.: 54751-01-8
Name: Pyridine, 4-(bromomethyl)- (9CI)
Article Data: 13
Molecular Structure:
Molecular Structure of 54751-01-8 (Pyridine, 4-(bromomethyl)- (9CI))
Formula: C6H6BrN
Molecular Weight: 172.024
Synonyms: 4-(Bromomethyl)pyridine;4-Pyridylmethyl bromide;
Density: 1.533 g/cm3
Melting Point: 235-240℃ (DEC.)
Boiling Point: 225.8 °C at 760 mmHg
Flash Point: 90.3 °C
PSA: 12.89000
LogP: 1.97650
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Specification

The Pyridine,4-(bromomethyl)-, with the CAS registry number 54751-01-8, is also known as 4-(Bromomethyl)pyridine hydrobromide. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H6BrN and molecular weight is 172.02254. Its systematic name is called 4-(bromomethyl)pyridine.

Physical properties of Pyridine,4-(bromomethyl)-: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 5.81; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 115.55; (8)ACD/KOC (pH 7.4): 141.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 36.99 cm3; (14)Molar Volume: 112.1 cm3; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.533 g/cm3; (17)Flash Point: 90.3 °C; (18)Enthalpy of Vaporization: 44.35 kJ/mol; (19)Boiling Point: 225.8 °C at 760 mmHg; (20)Vapour Pressure: 0.127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccncc1
(2)InChI: InChI=1/C6H6BrN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2
(3)InChIKey: KRLKXOLFFQWKPZ-UHFFFAOYAJ