Methyl 3-chloropyrazine-2-carboxylate
Grundinformationen
- CAS
27825-21-4- Standard-SMILES
COC(=O)c1nccnc1Cl- InChIKey
SSXOFWYPCZOGBM-UHFFFAOYSA-N- Summenformel
- C6H5ClN2O2
- Durchschnittliche Molmasse
- 172,57 g/mol
- Monoisotopische Masse
- 172,00395508
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-chloropyrazine-2-carboxylate
- IUPAC
- methyl 3-chloropyrazine-2-carboxylate
- Englischer Name
- METHYL 3-CHLORO-2-PYRAZINECARBOXYLATE
- Summenformel
- C6H5ClN2O2
- Molmasse
- 172.57
Namen und Synonyme
Methyl 3-chloropyrazine-2-carboxylate27825-21-42-Pyrazinecarboxylic acid, 3-chloro-, methyl esterDTXSID30364061RefChem:815409DTXCID60315107800-672-2Methyl 3-chloro-2-pyrazinecarboxylateMFCD030933263-CHLORO-PYRAZINE-2-CARBOXYLIC ACID METHYL ESTER3-CHLORO-2-PYRAZINECARBOXYLIC ACID METHYL ESTERMethyl3-chloropyrazine-2-carboxylate
Weitere Namen anzeigen
3-Chloro-pyrazine-2-carbo...Methyl 3-chloropyrazine-2-car boxylate3-chloro-5-Methylpyrazine-2-carboxylateMethyl3-Chloropyrazine-2-carboxylate>Methyl 3-chloropyrazine-2-carboxylate, 97+%
SCHEMBL2712593-chloropyrazine-2-carboxylic acid methyl esterAB2900TS-02358EN300-117096Z1198161446Methyl 3-chloropyPyrazinecarboxylic acid, 3-chloro-, methyl ester
Datenbank-Bezeichner
- CAS
27825-21-4- PubChem CID
- 1519497
- DTXSID
DTXSID30364061- EC Number
- 800-672-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 52,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 154
Physikochemische Eigenschaften
- Schmelzpunkt
- 31 · 31-32 °C
- Siedepunkt
- 89 °C/2mmHg · 89°C/2mmHg(lit.)
- Dichte
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- powder to lump
- pka
- -2.33 · -2.33±0.10(Predicted)
- Farbe
- White to Orange to Green
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
Anwendungen
Verwenden3-Chloro-2-pyrazinecarboxylic Acid Methyl Ester (cas# 27825-21-4) is a compound useful in organic synthesis.
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