HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1236664Erstellt: 26. Oktober 2026
2-Chloro-5-phenylpyrazine
C90108 · RMA02415 · 2-CHLORO-5-PHENYL-PYRAZINE · Pyrazine, 2-chloro-5-phenyl-
https://huagongshe.com/de/chemical/1236664
Identifikatoren & physikalische Daten
| CAS No. | 25844-73-9 |
|---|
| Summenformel | C10H7ClN2 |
|---|
| Durchschnittliche Molmasse | 190,63 g/mol |
|---|
| Monoisotopische Masse | 190,0297759 g/mol |
|---|
| SMILES | Clc1cnc(-c2ccccc2)cn1 |
|---|
| InChIKey | IKWXPYFPNVAWJY-UHFFFAOYSA-N |
|---|
| PubChem CID | 1236664 |
|---|
| EC No. | 842-634-8 |
|---|
| DTXSID | DTXSID60361245 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|
| Polarare Oberfläche (TPSA) | 25,8 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 157 |
|---|
| Schmelzpunkt | 97-98 °C(Solv: hexane (110-54-3)) |
|---|
| Siedepunkt | 296.8±35.0 °C(Predicted) |
|---|
| Dichte | 1.245±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
|---|
| pKa (Säurekonstante) | -1.78±0.10(Predicted) |
|---|
| Aggregatzustand | solid |
|---|
| InChI | 1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H |
|---|
| InChIKey | IKWXPYFPNVAWJY-UHFFFAOYSA-N |
|---|
| SMILES | ClC1=NC=C(C2=CC=CC=C2)N=C1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|
| UN-Transportnummer | UN 2811 6.1 / PGIII |
|---|
| Zollcode | 2933998090 |
|---|
| R-Sätze (R) | 41 |
|---|
| Sicherheitshinweise (S) | 26-39 |
|---|
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
|---|
| Gefahrenklasse | Acute Tox. 3 OralEye Dam. 1 |
|---|
