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5-Bromonicotinic acid(CAS No. 20826-04-4)

5-Bromonicotinic acid C6H4BrNO2 (cas 20826-04-4) Molecular Structure

20826-04-4 Structure

Identification and Related Records

【Name】
5-Bromonicotinic acid
【Iupac name】
5-bromopyridine-3-carboxylic acid
【CAS Registry number】
20826-04-4
【Synonyms】
3-pyridinecarboxylic acid, 5-bromo-
3-Pyridinecarboxylic acid, 5-bromo- (9CI)
5-bromopyridine-3-carboxylate
5-Bromo-Nicotinic Acid
Nicotinic acid, 5-bromo-
5-Bromo-3-pyridinecarboxylic acid
5-bromopyridine-3-carboxylic acid
5-bromo-3-pyridine carboxlic acid
5-Bromo Nicotinic Acid
5-Bromonicotic acid
LDP15:5-Bromo Nicotinic Acid
5-Bromonicotinic acid 98%
【EINECS(EC#)】
244-065-5
【Molecular Formula】
C6H4BrNO2 (Products with the same molecular formula)
【Molecular Weight】
202.01
【Inchi】
InChI=1/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
【Canonical SMILES】
C1=C(C=NC=C1Br)C(=O)O
【MOL File】
20826-04-4.mol

Chemical and Physical Properties

【Appearance】
Light yellow Cryst
【Density】
1.813 g/cm3
【Melting Point】
178-184℃
【Boiling Point】
328.5 °C at 760 mmHg
【Vapour】
7.59E-05mmHg at 25°C
【Flash Point】
152.5 °C
【Solubilities】
Very soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29333999
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:202.00546 [g/mol]
Molecular Formula:C6H4BrNO2
XLogP3-AA:1.1
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
Formal Charge:0
Complexity:140
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

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

【Transport】
25kgs
【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.

Supplier Location

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