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| CAS No.: | 20826-04-4 |
|---|---|
| Name: | 5-Bromonicotinic acid |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 50.19000 |
| LogP: | 1.54230 |
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5-bromonicotinamide
- 20826-04-4
5-bromo-3-pyridinecarboxylic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With nitric acid at 150℃; |
- 98555-51-2
5-Bromo-pyridine-2,3-dicarboxylic acid
- 20826-04-4
5-bromo-3-pyridinecarboxylic acid
| Conditions | Yield |
|---|---|
| With acetic acid | |
| beim Schmelzen; |
- 99-73-0
para-bromophenacyl bromide
A
- 20826-04-4
5-bromo-3-pyridinecarboxylic acid
B
- 109440-03-1
<5-3H>-nicotinic acid
| Conditions | Yield |
|---|---|
| With pyridine; potassium hydroxide; potassium permanganate; thionyl chloride; bromine; benzoyl chloride multistepreaction to study the origin of the carbon skeleton; |
- 20826-04-4
5-bromo-3-pyridinecarboxylic acid
| Conditions | Yield |
|---|---|
| With nitric acid |
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Chemistry
Molecular Structure of 5-Bromonicotinic Acid (CAS NO.20826-04-4):
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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: 
Xi
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.