5-Bromonicotinic acid

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Names

[ CAS No. ]:
20826-04-4

[ Name ]:
5-Bromonicotinic acid

[Synonym ]:
Nicotinic acid,5-bromo
5-Bromonicotinic acid
5-Bromo-3-pyridinecarboxylic Acid
5-Bromopyridine-3-carboxylic acid,5-Bromonicotinic acid
3-Pyridinecarboxylic acid,5-bromo
3-bromo-5-pyridine-carboxylic acid
5-bromonictotinic acid
3-Bromo pyridine-5-carboxylic acid
5-bromonicotininc acid
3-Pyridinecarboxylic acid, 5-bromo-
5-Bromopyridine-3-carboxylic acid
EINECS 244-065-5
MFCD00009783
5-Bromo Nicotinic Acid

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
328.5±27.0 °C at 760 mmHg

[ Melting Point ]:
178-180 °C(lit.)

[ Molecular Formula ]:
C₆H₄BrNO₂

[ Molecular Weight ]:
202.01

[ Flash Point ]:
152.5±23.7 °C

[ Exact Mass ]:
200.942535

[ PSA ]:
50.19000

[ LogP ]:
1.22

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.617

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT0868000

CHEMICAL NAME :: Nicotinic acid, 5-bromo-

CAS REGISTRY NUMBER :: 20826-04-4

BEILSTEIN REFERENCE NO. :: 0115854

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H4-Br-N-O2

MOLECULAR WEIGHT :: 202.02

WISWESSER LINE NOTATION :: T6NJ CE EVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 462 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: JOPHDQ Journal of Pharmacobio-Dynamics. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.1- 1978- Volume(issue)/page/year: 10,35,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 20,29,1986

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
QT0868000

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Nicotinoyl chloride
Nicergoline
Methyl 5-bromonicotinate
3-Bromoquinoline
Nicotinic acid
3,5-Dibromopyridine
5-Bromo-3-picoline
5-Bromopyridine-2,3-dicarboxylic acid

DownStream

(5-BROMOPYRIDIN-3-YL)(MORPHOLINO)METHANONE
5-bromo-n-tert-butylnicotinamide
(S)-Nornicotine
5-Bromo-2-methoxy-4,6-dimethylnicotinonitrile
Methyl 5-aminonicotinate
5-BROMO-4-IODONICOTINIC ACID
5-Bromonicotinoyl chloride
3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE
1-(5-Bromo-3-pyridinyl)ethanone
5-BROMO-N-CYCLOHEXYLNICOTINAMIDE

Preparation

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Agonist lead identification for the high affinity niacin receptor GPR109a.

Bioorg. Med. Chem. Lett. 17 , 4914-9, (2007)

A strategy for lead identification of new agonists of GPR109a, starting from known compounds shown to activate the receptor, is described. Early compound triage led to the formulation of a binding hyp...

Iodopyridine-for-iodobenzene substitution for use with low molecular weight radiopharmaceuticals: application to m-iodobenzylguanidine.

Bioconjug. Chem. 9(6) , 758-64, (1998)

Substituting a pyridine ring for a benzene ring in the acylation agent N-succinimidyl 3-iodobenzoate has resulted in a useful approach for the radiohalogenation of monoclonal antibodies, peptides, and...

Drug-protein conjugates: haptenation of 1-methyl-10 alpha-methoxydihydrolysergol and 5-bromonicotinic acid to albumin for the production of epitope-specific monoclonal antibodies against nicergoline.

J. Pharm. Sci. 84(9) , 1120-5, (1995)

Two types of monoclonal antibodies were used for the determination of nicergoline in biological matrices. The antibodies were prepared with the hydrolysis products 5-bromonicotinic acid and 1-methyl-1...