Pyrazincarbonylchlorid

Pyrazinecarbonyl chloride

HCID 88279

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Grundinformationen

CAS: 19847-10-0
Standard-SMILES: O=C(Cl)c1cnccn1
InChIKey: TXJKATOSKLUITR-UHFFFAOYSA-N
Summenformel: C5H3ClN2O
Durchschnittliche Molmasse: 142,54 g/mol
Monoisotopische Masse: 141,9933904

Namen und Bezeichner

Bevorzugter Name: Pyrazinecarbonyl chloride
IUPAC: pyrazine-2-carbonyl chloride
Lokaler Name: Pyrazincarbonylchlorid
Englischer Name: 2-Pyrazinecarbonyl chloride
Summenformel: C5H3ClN2O
Molmasse: 142.54

Namen und Synonyme

19847-10-02-Pyrazinecarbonyl chloridePyrazinecarbonyl chlorideEINECS 243-367-4DTXSID10173592RefChem:870452DTXCID8096083243-367-4Pyrazine-2-carbonyl chloridepyrazine 2-carbonyl chlorideMFCD00792886Pyrazine-2-carboxylic acid chloride

Weitere Namen anzeigen

ASINEX-REAG BAS 07703829Pyrazine-2-carbonyl chloride, 90+%2-PYRAZINECARBONYL CHLORIDE: TECH.Pyrazine-2-carbonyl chloride, technical, 90%

2-Pyrazinecarbonylchloride2-pyrazine carbonyl chloridepyrazinoyl chloridePyrazine-2-carbonylchlorideSCHEMBL417976H9QU868NP8TIMTEC-BB SBB0102902-pyrazine carboxylic acid chloride

Datenbank-Bezeichner

CAS: 19847-10-0
PubChem CID: 88279
DTXSID: DTXSID10173592
UNII: H9QU868NP8
EC Number: 243-367-4
Nikkaji: J280.380A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Schmelzpunkt: 41 °C · 41°C
Siedepunkt: 214.5 · 214.5±20.0 °C(Predicted)
Dichte: 1.393 · 1.393±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.5 · -2.50±0.10(Predicted)
Wasserlöslichkeit: Reacts with water.
CAS Datenbank: 19847 · 19847-10-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

ridadr: 3265
hs_code: 2933998090
risk_code: 34
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Pyrazinecarbonyl Chloride is an intermediate used in the synthesis of (S)-N-[1-(3-Hydroxy-3-methylbutanamido)-1-oxo-3-phenylpropan-2yl]pyrazine-2-carboxamide (H805105), which is an impurity of bortezomib (B675700), which is the first proteasome inhibitor to be approved by the US FDA for multiple myeloma, a blood cancer. A reversible inhibitor of the 26S proteasome-a barrel-shaped multiprotein particle found in the nucleus and cytosol of all eukaryotic cells. Targets the ubiquitin-proteasome pathway.