Grundinformationen
- Standard-SMILES
Clc1cnccn1- InChIKey
GELVZYOEQVJIRR-UHFFFAOYSA-N- Summenformel
- C4H3ClN2
- Durchschnittliche Molmasse
- 114,53 g/mol
- Monoisotopische Masse
- 113,99847578
Überblick
2-chloropyrazine is a member of pyrazines.
Namen und Bezeichner
- Bevorzugter Name
- Chloropyrazine
- IUPAC
- 2-chloropyrazine
- Lokaler Name
- Chlorpyrazin
- Englischer Name
- 2-Chloropyrazine
- Summenformel
- C4H3ClN2
- Molmasse
- 114.53
Namen und Synonyme
2-ChloropyrazineChloropyrazinepyrazine, 2-chloro-EINECS 238-517-0DTXSID0065779RefChem:125502DTXCID5034723238-517-0GELVZYOEQVJIRR-UHFFFAOYSA-NInChI=1/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-314508-49-7Pyrazine, chloro-
Weitere Namen anzeigen
2-Chloropyrazine 97%Chlorpyrazinchloro-pyrazin2-chloropyrazin2-DichloropyrazineCHLOROPYRAZINE, 2-Chloropyrazine >
MFCD000061242-chloro-pyrazineCHEMBL1741693chloropyrazinchloro-pyrazine6-chloropyrazine2- chloropyrazine2-chloro pyrazine
Datenbank-Bezeichner
- CAS
14508-49-7- PubChem CID
- 73277
- DTXSID
DTXSID0065779- ChEMBL
CHEMBL1741693- ChEBI
CHEBI:95323- UNII
- AQF7YV7HTW
- EC Number
- 238-517-0
- Nikkaji
- J151.517I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 57,7
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.7
Physikochemische Eigenschaften
- Schmelzpunkt
- 153 · 153~154℃
- Siedepunkt
- 153 · 153-154 °C (lit.)
- Dichte
- 1.283 g/mL · 1.283 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.539(lit.)
- Flammpunkt
- 136 °F · 136 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Soluble in Methanol
- Aggregatzustand
- Liquid
- pka
- -1.1 · -1.10±0.10(Predicted)
- Wichte
- 1.283 · 1.283
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- INSOLUBLE
- BRN
- 107019 · 107019
- InChI
- 1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H
- InChIKey
- GELVZYOEQVJIRR-UHFFFAOYSA-N
- SMILES
- Clc1cnccn1
- LogP
- 0.7 · 0.700
- CAS Datenbank
- 14508 · 14508-49-7(CAS DataBase Reference)
- NIST chemische Informationen
- Chloropyrazine(14508-49-7)
- EPA chemische Informationen
- Pyrazine, chloro- (14508-49-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPyrazine, 2-chloro-: ACTIVE
Anwendungen
Verwenden2-Chloropyrazine is used in cardiotonic, in biological, drug, flavoring and perfumery industry.
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