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29241-64-3

Basic Information
CAS No.: 29241-64-3
Name: 5,6-DIBROMOPYRIDINE-3-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 29241-64-3 (5,6-DIBROMOPYRIDINE-3-CARBOXYLIC ACID)
Formula: C6H3Br2NO2
Molecular Weight: 280.903
Synonyms: Nicotinicacid, 5,6-dibromo- (8CI);5,6-Dibromonicotinic acid;5,6-Dibromopyridine-3-carboxylic acid;5,6-Dibromo-3-pyridinecarboxylic acid;2,3-Dibromo-5-pyridinecarboxylic acid;
EINECS: 145-896-5
Density: 2.202 g/cm3
Boiling Point: 379.5 °C at 760 mmHg
Flash Point: 183.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 50.19000
LogP: 2.30480
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  • 5,6-dibromonicotinic acid

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  • 5,6-DIBROMOPYRIDINE-3-CARBOXYLIC ACID

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    29241-64-3

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  • 5,6-Dibromonicotinic acid

  • Casno:

    29241-64-3

    5,6-Dibromonicotinic acid

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Specification

The 5,6-Dibromonicotinic acid with CAS registry number of 29241-64-3 is also known as 2,3-Dibromo-5-pyridinecarboxylic acid. The IUPAC name is 5,6-Dibromopyridine-3-carboxylic acid. It belongs to product categories of Pyridine Series; Pyridines. In addition, the formula is C6H3Br2NO2 and the molecular weight is 280.90.

Physical properties about 5,6-Dibromonicotinic acid are: (1)ACD/LogP: 2.08; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 46.65 cm3; (11)Molar Volume: 127.5 cm3; (12)Surface Tension: 66.7 dyne/cm; (13)Density: 2.202 g/cm3; (14)Flash Point: 183.3 °C; (15)Enthalpy of Vaporization: 66.19 kJ/mol; (16)Boiling Point: 379.5 °C at 760 mmHg; (17)Vapour Pressure: 1.96E-06 mmHg at 25 °C.

Uses of 5,6-Dibromonicotinic acid: it is used to produce 5,6-dibromo-nicotinic acid methyl ester by reaction with diazomethane. The reaction occurs with solvent diethyl ether at ambient temperature. The yield is about 89%.

5,6-Dibromonicotinic acid is used to produce 5,6-dibromo-nicotinic acid methyl ester by reaction with diazomethane.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1cc(C(=O)O)cnc1Br
2. InChI: InChI=1/C6H3Br2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
3. InChIKey: ABBCIGFWDCOGEQ-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
5. Std. InChIKey: ABBCIGFWDCOGEQ-UHFFFAOYSA-N