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Cas Database

Name	6-Bromonicotinic acid	EINECS	628-671-0
CAS No.	6311-35-9	Density	1.814 g/cm³
PSA	50.19000	LogP	1.54230
Solubility	N/A	Melting Point	200-203 °C(lit.)
Formula	C₆H₄BrNO₂	Boiling Point	343.261 °C at 760 mmHg
Molecular Weight	202.007	Flash Point	161.399 °C
Transport Information	N/A	Appearance	Off-white plates
Safety	26-36	Risk Codes	22-36/37/38
Molecular Structure		Hazard Symbols	Xn, Xi
Synonyms	6-bromopyridine-3-carboxylic acid;6-bromopyridine-3-carboxylate;2-Bromopyridine-5-carboxylic acid;2-bromo-5-Pyridinecarboxylic acid;3-Pyridinecarboxylic acid, 6-bromo-;2-bromo-5-pyridine carboxylic acid;	Article Data	15

6-Bromonicotinic acid Synthetic route

: 3510-66-5
2-Bromo-5-methylpyridine

: 6311-35-9
6-bromonicotinic acid

Conditions

Conditions	Yield
With potassium permanganate; Aliquat 336 In water for 4.5h; Heating;	50%
With potassium permanganate; Alquat-336 In water for 1.5h; Heating;	50%
With potassium permanganate; Aliquat 336 In water at 110℃; for 2.5h;	44%

: 1603-41-4
(5-methyl-pyridin-2-yl)amine

: 6311-35-9
6-bromonicotinic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 93 percent / 1.) aq. 48percent HBr, bromine; 2.) aq. sodium nitrite / 1.) -20 deg C, 90 min; 2.) 15 deg C, 1 h 45 min 2: 50 percent / potassium permanganate / aliquat-336 / H2O / 4.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: bromine; aqueous sodium nitrite solution; aqueous hydrobromic acid 2: aqueous KMnO4 View Scheme

: 5006-66-6
6-hydroxy-3-pyridinecarboxylic acid

: 6311-35-9
6-bromonicotinic acid

Conditions

Conditions	Yield
With phosphorus pentabromide
With phosphorus(V) oxybromide at 170℃; for 0.166667h; Neat (no solvent);

: 149806-06-4
6-bromonicotinaldehyde

: 6311-35-9
6-bromonicotinic acid

Conditions

Conditions	Yield
With 1,4-dithio-D,L-threitol; recombinant aldehyde dehydrogenase from Escherichia coli; water‐forming NADH oxidase from Streptococcus mutans; NAD In aq. phosphate buffer at 40℃; for 4h; pH=8.5; Reagent/catalyst; Green chemistry; Enzymatic reaction; chemoselective reaction;

: 26218-78-0
methyl 6-bromonicotinate

: 6311-35-9
6-bromonicotinic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In tetrahydrofuran at 25℃; for 16h;	13.0 g

: 67-56-1
methanol

: 6311-35-9
6-bromonicotinic acid

: 26218-78-0
methyl 6-bromonicotinate

Conditions

Conditions	Yield
With sulfuric acid Reflux;	100%
With triphenylphosphine; diethylazodicarboxylate In diethyl ether for 1.16667h; Ambient temperature;	79%
Stage #1: 6-bromonicotinic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 1h; Stage #2: methanol	55%

: 110-89-4
piperidine

: 6311-35-9
6-bromonicotinic acid

: (6-bromopyridin-3-yl)(piperidin-1-yl)methanone

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 18h;	100%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20 - 23℃; for 15h; Inert atmosphere;	75%
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 2h;	60%

: 6311-35-9
6-bromonicotinic acid

: 1200575-98-9
tert-butyl 4-[6-(dimethoxyboryl)-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate

: 1200576-01-7
6-{2-[1-(tert-butoxycarbonyl)piperidin-4-yl]-4H-1,3-benzodioxin-6-yl} nicotinic acid

Conditions

Conditions	Yield
With potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water; acetonitrile at 160℃; for 0.333333h; Irradiation;	100%

: 6311-35-9
6-bromonicotinic acid

: 74-88-4
methyl iodide

: 26218-78-0
methyl 6-bromonicotinate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h;	94%
With potassium carbonate In N,N-dimethyl-formamide at 0 - 55℃; for 4h;	0.909 g

: 6311-35-9
6-bromonicotinic acid

: (3R)-3-methyl-1,4'-bipiperidine dihydrochloride

: (6-bromopyridin-3-yl)[(3R)-3-methyl-1,4'-bipiperidin-1'-yl]methanone

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate; acetonitrile at 20℃; for 18h;	93%

6-Bromonicotinic acid Chemical Properties

The Molecular Structure of 6-Bromonicotinic acid (CAS NO.6311-35-9):

Empirical Formula: C₆H₄BrNO₂
Molecular Weight: 202.0055
IUPAC Name: 6-bromopyridine-3-carboxylic acid
Appearance: Off-white Plates
Nominal Mass: 201 Da
Average Mass: 202.0055 Da
Monoisotopic Mass: 200.942533 Da
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: 161.4 °C
Enthalpy of Vaporization: 61.96 kJ/mol
Boiling Point: 343.3 °C at 760 mmHg
Vapour Pressure: 2.73E-05 mmHg at 25°C
Synonyms: Ilab-bb f1921-0015 ; Iflab-bb f1926-0006 ; Aurora 23320 ; Akos bbs-00001340 ; 6-Bromonicotinc acid ; 6-Bromonicotinic acid ; 6-Bromopyridine-3-carboxylic acid ; 6-Bromo-3-pyridinecarboxylic acid
Product Categories: blocks;Bromides;Carboxes;Pyridines;Pyridine;pyridine derivative;Acids and Derivatives;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;pharmacetical;Carboxylic Acids;Bromopyridines;Halopyridines;Carboxylic Acids;Picolinic acid series

6-Bromonicotinic acid Safety Profile

Hazard Codes: Harmful Xn Irritant Xi
Risk Statements: 22-36/37/38
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safe Statements:
S26: In case of contact with eyes, rinse immediately with plenty of WATER and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

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