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CAS No.: | 35905-85-2 |
---|---|
Name: | 2-Bromonicotinic acid |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H4BrNO2 |
Molecular Weight: | 202.007 |
Synonyms: | 2-Bromopyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 2-bromo-; |
EINECS: | 627-678-6 |
Density: | 1.814 g/cm3 |
Melting Point: | 200-203 °C(lit.) |
Boiling Point: | 339.35 °C at 760 mmHg |
Flash Point: | 159.033 °C |
Appearance: | Light yellow cryst. |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 50.19000 |
LogP: | 1.54230 |
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Molecule structure of 2-Bromonicotinic acid (CAS NO.35905-85-2):
IUPAC Name: 2-Bromopyridine-3-carboxylic acid
Molecular Weight: 202.00546 g/mol
Molecular Formula: C6H4BrNO2
Density: 1.813 g/cm3
Melting Point: 200-203 °C(lit.)
Boiling Point: 339.3 °C at 760 mmHg
Flash Point: 159 °C
Index of Refraction: 1.616
Molar Refractivity: 38.96 cm3
Molar Volume: 111.3 cm3
Polarizability: 15.44×10-24 cm3
Surface Tension: 63.2 dyne/cm
Enthalpy of Vaporization: 61.51 kJ/mol
Vapour Pressure: 3.59E-05 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 200.942541
MonoIsotopic Mass: 200.942541
Topological Polar Surface Area: 50.2
Heavy Atom Count: 10
Complexity: 140
Canonical SMILES: C1=CC(=C(N=C1)Br)C(=O)O
InChI: InChI=1S/C6H4BrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKey: MMWNKXIFVYQOTK-UHFFFAOYSA-N
Product Categories: blocks; Carboxes; Pyridines; Pyridine Series; Pyridines, Pyrimidines, Purines and Pteredines; pharmacetical; Carboxylic Acids; Pyridine; Pyridines derivates; Carboxy; Organohalides; Bromopyridines; Halopyridines; Carboxylic Acids
2-Bromonicotinic acid (CAS NO.35905-85-2) is used as intermediate.
Hazard Codes: Xn, Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
HazardClass: IRRITANT
2-Bromonicotinic acid (CAS NO.35905-85-2) is also named as 2-Bromo pyridine-3-carboxylic acid ; 2-Bromopyridine-3-carboxylic acid ; 3-pyridinecarboxylic acid, 2-bromo- ; 2-Bromo-3-pyridinecarboxylic acid ; 2-Bromo-nicotinic acid . 2-Bromonicotinic acid (CAS NO.35905-85-2) is light yellow cryst.