CAS No.131747-63-2,4-BROMOPYRIDINE-2-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131747-63-2
Name:	4-BROMOPYRIDINE-2-CARBALDEHYDE
Article Data:	2

Formula:	C₆H₄BrNO
Molecular Weight:	186.008
Synonyms:	4-Bromopyridine 2-carboxaldehyde;4-bromopicolinaldehyde;
EINECS:	606-385-7
Density:	1.683 g/cm³
Boiling Point:	243.976 °C at 760 mmHg
Flash Point:	101.354 °C
PSA:	29.96000
LogP:	1.65660

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Specification

The systematic name of 4-Bromopyridine-2-carbaldehyde is 4-bromopyridine-2-carbaldehyde. With the CAS registry number 131747-63-2, it is also named as 4-Bromopicolinaldehyde. In addition, its molecular formula is C₆H₄BrNO and its molecular weight is 186.01.

The other characteristics of 4-Bromopyridine-2-carbaldehyde can be summarized as: (1)ACD/LogP: 1.70; (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): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 130; (8)ACD/KOC (pH 7.4): 130; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 38.787 cm³; (15)Molar Volume: 110.508 cm³; (16)Polarizability: 15.376×10^-24cm³; (17)Surface Tension: 52.157 dyne/cm; (18)Density: 1.683 g/cm³; (19)Flash Point: 101.354 °C; (20)Enthalpy of Vaporization: 48.101 kJ/mol; (21)Boiling Point: 243.976 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1ccnc(C=O)c1
(2)InChI: InChI=1/C6H4BrNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
(3)InChIKey: CKVQWOKUEZYWRQ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H4BrNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
(5)Std. InChIKey: CKVQWOKUEZYWRQ-UHFFFAOYSA-N