Basic information
- Name:
5-Bromonicotinic acid
- CAS No.:
20826-04-4
- Molecular Structure:
- Formula:
- C6H4BrNO2
- Molecular Weight:
- 202.01
- 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 Description:
- 26-36-24/25 Details
- particular:
- particular
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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.
