ChemicalBook--->CAS DataBase List--->98-97-5

98-97-5

98-97-5 Structure

98-97-5 Structure
IdentificationMore
[Name]

2-Pyrazinecarboxylic acid
[CAS]

98-97-5
[Synonyms]

2-PYRAZINECARBOXYLIC ACID
AKOS BBS-00003784
PYRAZINE-2-CARBOXYLIC ACID
PYRAZINECARBOXYLIC ACID
PYRAZINOIC ACID
RARECHEM AL BO 0493
TIMTEC-BB SBB000051
2-Pyrazinecarboxylic
2-Pyrazinoic acid
Paradiazinecarboxylic acid
Piazinecarboxylic acid
Pyrazinemonocarboxylic acid
Pyrazinemonocarboxylicacid
Pyrazinic acid
Pyrazoic acid
Pyrazinecarboxylice acid
SodiumStearlyFumarate
Pyrazinecarboxylicacid,99%
1,4-Diazine-2-carboxylic acid
2-Pyrazinecarboxylic aci
[EINECS(EC#)]

202-718-1
[Molecular Formula]

C5H4N2O2
[MDL Number]

MFCD00006130
[Molecular Weight]

124.1
[MOL File]

98-97-5.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO OFF-WHITE CRYSTALLINE POWDER
[Melting point ]

222-225 °C (dec.)(lit.)
[Boiling point ]

230.85°C (rough estimate)
[density ]

1.4317 (rough estimate)
[vapor pressure ]

0.011Pa at 25℃
[refractive index ]

1.4800 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Crystalline Powder
[pka]

pK (25°) 2.92
[color ]

White to off-white
[Water Solubility ]

SOLUBLE IN COLD WATER
[Detection Methods]

HPLC,NMR
[Merck ]

14,7959
[BRN ]

112305
[InChI]

1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
[InChIKey]

NIPZZXUFJPQHNH-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cnccn1
[LogP]

-0.18
[CAS DataBase Reference]

98-97-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyrazinoic acid(98-97-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi,C,F
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
[WGK Germany ]

3
[REACH Registrations]

Inactive
[HS Code ]

29339990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,3-Pyrazinedicarboxylic acid-->5-Methyl-2-pyrazinecarboxylic acid
[Preparation Products]

1-Boc-3-hydroxymethyl-piperazine-->Piperazine-2-carboxylic acid-->(R)-Piperazine-2-carboxylic acid-->Methyl 2-chloro-6-pyrazinecarboxylate-->2-Pyrazinecarbonyl chloride-->(S)-3-Phenyl-2-[(pyrazin-2-ylcarbonyl)amino] propanoic acid-->Methyl 4-Boc-piperazine-2-carboxylate-->5-pyrazinyl-1,3,4-oxadiazole-2-thione
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Pyrazinecarboxylic acid(98-97-5).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO OFF-WHITE CRYSTALLINE POWDER
[Uses]

Labelled analogue of Pyrazinecarboxylic Acid, a very potent urate retaining drug. Pyrazinecarboxylic Acid is a metabolite of the antibacterial agent Pyrazinamide (P840600).
[Uses]

Pyrazinecarboxylic Acid is a very potent urate retaining drug. Pyrazinecarboxylic Acid is a metabolite of the antibacterial agent Pyrazinamide (P840600).
[Definition]

ChEBI: The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 40, p. 1187, 1975 DOI: 10.1021/jo00896a050
[Flammability and Explosibility]

Notclassified
[Purification Methods]

It crystallises from water. The methyl ester has m 62o (from pet ether). [Sauville & Spoerri J Am Chem Soc 63 3153 1941, Beilstein 25 III/IV 771.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pyrazinecarboxylic acid(98-97-5)MS
2-Pyrazinecarboxylic acid(98-97-5)1HNMR
2-Pyrazinecarboxylic acid(98-97-5)13CNMR
2-Pyrazinecarboxylic acid(98-97-5)IR1
2-Pyrazinecarboxylic acid(98-97-5)IR2
2-Pyrazinecarboxylic acid(98-97-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Pyrazinecarboxylic acid, 99%(98-97-5)
[Alfa Aesar]

Pyrazine-2-carboxylic acid, 99%(98-97-5)
[Sigma Aldrich]

98-97-5(sigmaaldrich)
[TCI AMERICA]

Pyrazinecarboxylic Acid,>98.0%(T)(98-97-5)
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