4-Bromopyridine-3-carbaldehyde supplier

Name
4-Bromopyridine-3-carboxaldehyde
EINECS -0
CAS No. 154105-64-3
Article Data18
CAS DataBase
Density 1.683 g/cm³
Solubility
Melting Point 49-50 °C
Formula C₆H₄BrNO
Boiling Point 263.334 °C at 760 mmHg
Molecular Weight 186.008
Flash Point 113.061 °C
Transport Information
Appearance yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromonicotinaldehyde;
PSA 29.96000
LogP 1.65660

4-Bromopyridine-3-carbaldehyde Specification

The systematic name of this chemical is 4-bromopyridine-3-carbaldehyde. With the CAS registry number 154105-64-3, it is also named as 3-Pyridinecarboxaldehyde, 4-bromo-. The product's categories are Pharmacetical; Pyridine; Aldehyde; Organohalides. It is yellow solid which is used as pharmaceutical intermediate. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 4-Bromopyridine-3-carbaldehyde can be summarized as: (1)ACD/LogP: 0.47; (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): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 83; (8)ACD/KOC (pH 7.4): 83; (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^-24 cm³; (17)Surface Tension: 52.157 dyne/cm; (18)Density: 1.683 g/cm³; (19)Flash Point: 113.061 °C; (20)Enthalpy of Vaporization: 50.116 kJ/mol; (21)Boiling Point: 263.334 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccncc1C=O
2. InChI:InChI=1/C6H4BrNO/c7-6-1-2-8-3-5(6)4-9/h1-4H
3. InChIKey:WKYVGBPCXOPWEA-UHFFFAOYAA
4. Std. InChI:InChI=1S/C6H4BrNO/c7-6-1-2-8-3-5(6)4-9/h1-4H
5. Std. InChIKey:WKYVGBPCXOPWEA-UHFFFAOYSA-N

Product Name

4-Bromopyridine-3-carboxaldehyde

4-Bromopyridine-3-carbaldehyde Specification

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