4-Bromopyridine-2-carbaldehyde supplier

Name
4-BROMOPYRIDINE-2-CARBALDEHYDE
EINECS 606-385-7
CAS No. 131747-63-2
Article Data2
CAS DataBase
Density 1.683 g/cm³
Solubility
Melting Point
Formula C₆H₄BrNO
Boiling Point 243.976 °C at 760 mmHg
Molecular Weight 186.008
Flash Point 101.354 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromopyridine 2-carboxaldehyde;4-bromopicolinaldehyde;
PSA 29.96000
LogP 1.65660

4-Bromopyridine-2-carbaldehyde 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

Product Name

4-BROMOPYRIDINE-2-CARBALDEHYDE

4-Bromopyridine-2-carbaldehyde Specification

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