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6-Bromopicolinic acid

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Name

6-Bromopicolinic acid

EINECS 628-217-1
CAS No. 21190-87-4 Density 1.814 g/cm3
PSA 50.19000 LogP 1.54230
Solubility N/A Melting Point 192-194 °C(lit.)
Formula C6H4BrNO2 Boiling Point 352.792 °C at 760 mmHg
Molecular Weight 202.007 Flash Point 167.163 °C
Transport Information N/A Appearance Light yellow cryst.
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 21190-87-4 (6-Bromopicolinic acid) Hazard Symbols IrritantXi
Synonyms

Picolinicacid, 6-bromo- (8CI);2-Bromo-6-pyridinecarboxylic acid;6-Bromo-2-pyridinecarboxylic acid;

Article Data 4

6-Bromopicolinic acid Specification

The 6-Bromopicolinic acid is an organic compound with the formula C6H4BrNO2. The IUPAC name of this chemical is 6-bromopyridine-2-carboxylic acid. With the CAS registry number 21190-87-4, it is also named as Acide 6-bromo-2-pyridinecarboxylique. The product's categories are Blocks; Bromides; Carboxes; Pyridines; Pyridine; Pyridine Derivative; Pharmacetical; Carboxylic Acids; Organic acids; Pyridine Series; Bromopyridines; Halopyridines; Carboxylic Acids; Boronic Acid; Picolinic Acid Series. Besides, it should be stored in a closed cool and dry place. It is used for organic synthesis and intermediates.

Physical properties about 6-Bromopicolinic acid are: (1)ACD/LogP: 1.36; (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)Polar Surface Area: 50.19 Å2; (10)Index of Refraction: 1.617; (11)Molar Refractivity: 38.964 cm3; (12)Molar Volume: 111.372 cm3; (13)Polarizability: 15.447×10-24cm3; (14)Surface Tension: 63.223 dyne/cm; (15)Density: 1.814 g/cm3; (16)Flash Point: 167.163 °C; (17)Enthalpy of Vaporization: 63.067 kJ/mol; (18)Boiling Point: 352.792 °C at 760 mmHg.

Preparation: this chemical can be prepared by 2-bromo-6-methyl-pyridine. This reaction will need reagent CrO3 and solvent H2SO4.



Uses of 6-Bromopicolinic acid: it can be used to produce 6-bromo-pyridine-2-carboxylic acid ethyl ester. It will need reagent H2SO4.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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: c1cc(nc(c1)Br)C(=O)O
(2)InChI: InChI=1/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
(3)InChIKey: XURXQNUIGWHWHU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
(5)Std. InChIKey: XURXQNUIGWHWHU-UHFFFAOYSA-N

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