HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,5-Dichloropyrimidine
EOS-60492 · 2,5-Dichlo · 2,5-chloropyrimidine · 2,5-DICHLOROPYRIMIDINE · Macitentan Impurity 32 · 2,5‐Dichloropyridimidine · 2,5-Dichloro-1,3-diazine · Pyrimidine, 2,5-dichloro-
Identifikatoren & physikalische Daten
| CAS No. | 22536-67-0 |
|---|---|
| Summenformel | C4H2Cl2N2 |
| Durchschnittliche Molmasse | 148,98 g/mol |
| Monoisotopische Masse | 147,95950342 g/mol |
| SMILES | Clc1cnc(Cl)nc1 |
| InChIKey | CEJAHXLRNZJPQH-UHFFFAOYSA-N |
| PubChem CID | 590641 |
| EC No. | 639-415-2 |
| DTXSID | DTXSID50343575 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70,4 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 48-55 °C |
| Siedepunkt | 190°C |
| Dichte | 1.493 |
| Flammpunkt | 140°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -2.84±0.22(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Off-white |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H |
| InChIKey | CEJAHXLRNZJPQH-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(Cl)C=N1 |
| CAS Datenbank | 22536-67-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.DangerH302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (93.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 22-41-50 |
| Gefahrensymbole | C,N,Xn |
| Sicherheitshinweise (S) | 26-39-61 |
| Gefahrenklasse | 9Acute Tox. 4 OralEye Dam. 1 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,5-Dichloropyrimidine acid is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.