ChemicalBook--->CAS DataBase List--->98-98-6

98-98-6

98-98-6 Structure

98-98-6 Structure
IdentificationMore
[Name]

Picolinic acid
[CAS]

98-98-6
[Synonyms]

2-PICOLINIC ACID
2-PYRIDINECARBOXYLIC ACID
AKOS 237-93
AKOS BBS-00003720
ALPHA-PICOLINIC ACID
PICOLINIC(2-) ACID
PICOLINIC ACID
PYRIDINE-2-CARBOXYLIC ACID
PYRIDINE-ALPHA-CARBOXYLIC ACID
RARECHEM AL BO 0209
TIMTEC-BB SBB004277
2-Carboxypyridine
Acide picolique
acidepicolique
alpha-Pyridinecarboxylic acid
alpha-pyridinecarboxylicacid
o-Pyridinecarboxylic acid
o-pyridinecarboxylicacid
Pyridinecarboxylic acid-(2)
Pyridine-carboxylique-2
[EINECS(EC#)]

202-719-7
[Molecular Formula]

C6H5NO2
[MDL Number]

MFCD00006293
[Molecular Weight]

123.11
[MOL File]

98-98-6.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white to tan powder
[Melting point ]

139-142 °C (lit.)
[Boiling point ]

229.19°C (rough estimate)
[bulk density]

500-700kg/m3
[density ]

1.3147 (rough estimate)
[vapor pressure ]

0.028Pa at 25℃
[refractive index ]

1.5423 (estimate)
[Fp ]

139°(232°F)
[storage temp. ]

Store at RT.
[solubility ]

H2O: 50 mg/mL, clear
[form ]

Crystalline Powder
[pka]

1.07(at 25℃)
[color ]

White to almost white
[PH]

3.1 (50g/l, H2O, 20℃)
[Water Solubility ]

887 g/L (20 ºC)
[Detection Methods]

HPLC,NMR
[Merck ]

14,7403
[BRN ]

109595
[Cosmetics Ingredients Functions]

SKIN CONDITIONING - MISCELLANEOUS
ANTIOXIDANT
[InChI]

1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
[InChIKey]

SIOXPEMLGUPBBT-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccccn1
[LogP]

0.72
[CAS DataBase Reference]

98-98-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Pyridinecarboxylic acid(98-98-6)
[EPA Substance Registry System]

98-98-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H318
[Precautionary statements ]

P264-P270-P280-P301+P312-P305+P351+P338-P501
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S33:Take precautionary measures against static discharges .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

TJ7344000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29333999
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
[Hazardous Substances Data]

98-98-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Potassium permanganate-->Manganese dioxide-->Congo Red-->2-Pyridylacetic acid-->2-Cyanopyridine-->Sodium hydroxide
[Preparation Products]

2-Amino-4-chloropyridine-->2-Aminopyridin-4-ol-->4-Chloropyridine-2-carboxamide-->2-isocyanatopyridine-->3-Bromopyridine-2-carboxylic acid-->Pyridine-2-carboxylic acid hydrazide-->4-Chloro-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester-->4-Iodopyridine-2-carboxylic acid-->Nicotinic acid-->Pyridine-2-carbonyl chloride hydrochloride-->2-Amino-4-fluoropyridine-->2-(2-Pyridyl)benzoxazole-->Methyl picolinate-->Ethyl picolinate-->4-Chloro-N,N-dimethyl-pyridine-2-carboxamide-->Methyl 4-chloropicolinate-->2-(Bromomethyl)pyridine-->Pyridine, 2-(4,5-dihydro-2-oxazolyl)- (9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Pyridinecarboxylic acid(98-98-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-white to tan powder
[Uses]

2-Picolinic acid is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.
[Uses]

Chelate for alkaline earth metals.1 Used to prepare picolinato ligated transition metal complexes.2,3,4
[Application]

2-Picolinic acid is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.
Metal complexes of picolinic acid were prepared by the refluxion of metal salts and picolinic acid in ethanol taking 1:3 molar ratio for 6 hours. The solutions were concentrated and cooled, to crystallize out the complexes.The complexes were washed with ether to remove the excess ligand.
[Definition]

ChEBI: A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.
[reaction suitability]

reagent type: catalyst
reagent type: ligand
reaction type: C-H Activation
[Synthesis]

2-Picolinic acid synthesis: In a 500ml three-necked flask, add 100g of 2-cyanopyridine and 200g of deionized water, then start stirring, heat up to 50°C, add 128.2g of 30% sodium hydroxide to the flask, after adding, add Continue to heat up, react under reflux for 4 hours, then distill water, after 50 g of distilled water, cool the reaction solution to 20°C, add 30% hydrochloric acid, adjust the pH value of the reaction solution to 2.5, then turn on the steam to heat up the water and steam to the kettle When the temperature reaches 120°C, the reaction solution is evaporated to dryness, and the distilled water is completed. Then, 300 g of anhydrous alcohol is added dropwise to the flask to maintain the temperature of the reaction solution at 55°C. After cooling and crystallization, a solid was precipitated, filtered and dried to obtain 106.0 g of 2-picolinic acid with a yield of 89.6%.
[Purification Methods]

Crystallise the acid from water or *benzene. The picrate has m 185-187o (from MeOH). [Beilstein 22 H 33, 22 I 502, 22 II 30, 22 III/IV 303, 22/2 V 3.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Picolinic acid(98-98-6)MS
2-Picolinic acid(98-98-6)1HNMR
2-Picolinic acid(98-98-6)13CNMR
2-Picolinic acid(98-98-6)IR1
2-Picolinic acid(98-98-6)IR2
2-Picolinic acid(98-98-6)Raman
2-Picolinic acid(98-98-6)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Picolinic acid, 99%(98-98-6)
[Alfa Aesar]

2-Picolinic acid, 99%(98-98-6)
[Sigma Aldrich]

98-98-6(sigmaaldrich)
[TCI AMERICA]

Picolinic Acid,>99.0%(T)(98-98-6)
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