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20826-04-4

Basic Information
CAS No.: 20826-04-4
Name: 5-Bromonicotinic acid
Article Data: 18
Molecular Structure:
Molecular Structure of 20826-04-4 (5-Bromonicotinic acid)
Formula: C6H4BrNO2
Molecular Weight: 202.007
Synonyms: 3-pyridinecarboxylic acid, 5-bromo-;3-Pyridinecarboxylic acid, 5-bromo- (9CI);5-bromopyridine-3-carboxylate;Nicotinic acid, 5-bromo-;5-Bromo-3-pyridinecarboxylic acid;5-bromopyridine-3-carboxylic acid;5-bromo-3-pyridine carboxlic acid;
EINECS: 244-065-5
Density: 1.814 g/cm3
Melting Point: 178-180 °C(lit.)
Boiling Point: 328.535 °C at 760 mmHg
Flash Point: 152.5 °C
Appearance: Light yellow cryst.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
PSA: 50.19000
LogP: 1.54230
Synthetic route
28733-43-9

5-bromonicotinamide

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With acetic acid; isopentyl nitrite at 80℃; for 24h; Inert atmosphere;98%
10400-19-8

3-pyridinecarbonyl chloride

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With bromine at 0 - 155℃; for 10h;94%
29681-44-5

5-bromo-3-pyridine carboxylic acid methyl ester

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide In methanol; water for 12h; Ambient temperature;91%
With water; sodium hydroxide In tetrahydrofuran at 20℃; for 0.166667h;33%

A

20826-04-4

5-bromo-3-pyridinecarboxylic acid

B

35155-28-3

1-Methyl-10alpha-methoxy-9,10-dihydrolysergol

Conditions
ConditionsYield
With potassium hydroxide In methanol Heating;A 12%
B 91%
625-92-3

3,5-dibromopyridine

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With n-butyllithium; diethyl ether at -30℃; Behandeln der Reaktionsloesung mit festem CO2;
59-67-6

nicotinic acid

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With thionyl chloride Erhitzen des Reaktionsprodukts mit Brom auf 150-170grad und Behandeln des Reaktionsgemisches mit H2O bei pH 3;
5332-24-1

3-bromoquinoline

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With nitric acid at 150℃;
98555-51-2

5-Bromo-pyridine-2,3-dicarboxylic acid

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With acetic acid
beim Schmelzen;
99-73-0

para-bromophenacyl bromide

<5-3H>-sesbanine

A

20826-04-4

5-bromo-3-pyridinecarboxylic acid

B

109440-03-1

<5-3H>-nicotinic acid

C

5-Bromo-nicotinic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester

Conditions
ConditionsYield
With pyridine; potassium hydroxide; potassium permanganate; thionyl chloride; bromine; benzoyl chloride multistepreaction to study the origin of the carbon skeleton;
3.bz.bz-tribromo-6-methoxy-quinoline

3.bz.bz-tribromo-6-methoxy-quinoline

20826-04-4

5-bromo-3-pyridinecarboxylic acid

Conditions
ConditionsYield
With nitric acid
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Chemistry

Molecular Structure of 5-Bromonicotinic Acid (CAS NO.20826-04-4):

IUPAC Name: 5-bromopyridine-3-carboxylic acid 
Empirical Formula: C6H4BrNO2
Molecular Weight: 202.0055
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 39.19Å2
Index of Refraction: 1.616
Molar Refractivity: 38.96 cm3
Molar Volume: 111.3 cm3
Surface Tension: 63.2 dyne/cm
Density: 1.813 g/cm3
Flash Point: 152.5 °C
Enthalpy of Vaporization: 60.27 kJ/mol
Boiling Point: 328.5 °C at 760 mmHg
Vapour Pressure: 7.59E-05 mmHg at 25°C
EINECS: 244-065-5
Melting point : 178-180 °C(lit.)
BRN :115854
Product Categories: blocks; Bromides; Carboxes; Pyridines; Pyridine; pyridine derivative; Acids and Derivatives; Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; pharmacetical; Pyridine series; Carboxylic Acids; Organic acids; Pyridines derivates; Protected amino acid & peptides; Bromopyridines; Halopyridines; Carboxylic Acids

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 29, 1986.
mouse LD50 intraperitoneal 462mg/kg (462mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacobio-Dynamics. Vol. 10, Pg. 35, 1987.

Safety Profile

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes.
Hazard Codes: IrritantXi
RTECS: QT0868000
Hazard Note: Irritant
WGK Germany: 3
HS Code: 29333999

Specification

  5-Bromonicotinic Acid , with CAS number of 20826-04-4, can be called 3-Pyridinecarboxylic acid, 5-bromo- (9CI) ; 3-pyridinecarboxylic acid, 5-bromo- ; 5-bromopyridine-3-carboxylate ; 5-Bromo-Nicotinic Acid ; 5-Bromo-3-pyridinecarboxylic acid ; Nicotinic acid, 5-bromo- ; 5-bromopyridine-3-carboxylic acid ; 5-bromo-3-pyridine carboxlic acid ; LDP15:5-Bromo Nicotinic Acid ; 5-Bromonicotic acid ; 5-Bromonicotinic acid 98% . It is a light yellow cryst.