Pyrazin-2-carbonsure

2-Pyrazinecarboxylic acid

HCID 1047CAS 98-97-5
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Grundinformationen

Standard-SMILES
O=C(O)c1cnccn1
InChIKey
NIPZZXUFJPQHNH-UHFFFAOYSA-N
Summenformel
C5H4N2O2
Durchschnittliche Molmasse
124,1 g/mol
Monoisotopische Masse
124,02727737

Überblick

Pyrazine-2-carboxylic acid is 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. It has a role as an antitubercular agent and a drug metabolite. It is a conjugate acid of a pyrazine-2-carboxylate.

Namen und Bezeichner

Bevorzugter Name
2-Pyrazinecarboxylic acid
IUPAC
pyrazine-2-carboxylic acid
Lokaler Name
Pyrazin-2-carbonsure
Englischer Name
2-Pyrazinecarboxylic acid
Summenformel
C5H4N2O2
Molmasse
124.1

Namen und Synonyme

Pyrazine-2-carboxylic acid2-Pyrazinecarboxylic acid98-97-5pyrazinoic acidpyrazinecarboxylic acidParadiazinecarboxylic acidpyrazinemonocarboxylic acidNSC-13146CHEBI:71311DTXSID302433672WB23298SPRefChem:177455
Weitere Namen anzeigen
NSC 13146NSC 27192NSC 13146-d3NSC 27192-d3Pyrazoic acidPyrazinecarboxyL
CHEBI:48345DTXCID30165858202-718-1Pyrazinic acid2-Carboxypyrazine2-Pyrazine carboxylic acid2-Pyrazinoic acidPiazinecarboxylic acid

Datenbank-Bezeichner

CAS
98-97-5
PubChem CID
1047
DTXSID
DTXSID30243367
ChEMBL
CHEMBL613
ChEBI
CHEBI:71311
UNII
2WB23298SP
EC Number
202-718-1
Nikkaji
J11.623H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
63,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyrazines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionWhite solid; [Merck Index] White or off-white powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
222 · 222-225 °C (dec.)(lit.)
Siedepunkt
230.85 °C · 230.85°C (rough estimate)
Dichte
1.4317 · 1.4317 (rough estimate)
Dampfdruck
0.011 Pa · 0.011Pa at 25℃
Brechungsindex
1.48 · 1.4800 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 82.4% (14 of 17) of all reports.

Warning

H315 (17.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Pyrazinecarboxylic acid

Status: Cease Manufacture Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19785

Pyrazinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (17.6%)

Sicherheitsdaten

wgk
3
hs_code
29339990
risk_code
11-34
hazard_code
Xi,C,F
safety_code
22-24/25-45-36/37/39-26-16
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsKidney
Cellular LocationsCytoplasm

Anwendungen

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.

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