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5-Bromo-2-methoxypyridine-3-carbaldehyde

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Name

5-Bromo-2-methoxypyridine-3-carbaldehyde

EINECS N/A
CAS No. 103058-87-3 Density 1.606 g/cm3
PSA 39.19000 LogP 1.66520
Solubility Slightly soluble in water. Melting Point 103.2-103.3 °C
Formula C7H6BrNO2 Boiling Point 278.5 °C at 760 mmHg
Molecular Weight 216.034 Flash Point 122.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 103058-87-3 (5-BROMO-2-METHOXY-PYRIDINE-3-CARBALDEHYDE) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

5-bromo-2-methoxynicotinaldehyde;

Article Data 3

5-Bromo-2-methoxypyridine-3-carbaldehyde Specification

The 5-Bromo-2-methoxypyridine-3-carbaldehyde, with CAS registry number 103058-87-3, belongs to the following product categories: (1)Pharmacetical; (2)C7 and C8; (3)Heterocyclic Building Blocks; (4)Halogenated Heterocycles; (5)Heterocyclic Building Blocks; (6)Pyridines. Its systematic name and its IUPAC name are the same, which is 5-bromo-2-methoxypyridine-3-carbaldehyde.

Physical properties of 5-Bromo-2-methoxypyridine-3-carbaldehyde: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.5; (6)ACD/BCF (pH 7.4): 32.5; (7)ACD/KOC (pH 5.5): 420.56; (8)ACD/KOC (pH 7.4): 420.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 45.46 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 18.02×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Enthalpy of Vaporization: 51.71 kJ/mol; (19)Vapour Pressure: 0.00424 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-2-methoxypyridine-3-carbaldehyde irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection.And this chemical is harmful if swallowed.  If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(OC)c(C=O)c1
(2)InChI: InChI=1/C7H6BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3
(3)InChIKey: VRNOWEKCASDTFG-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H6BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3
(5)Std. InChIKey: VRNOWEKCASDTFG-UHFFFAOYSA-N

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