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2-Chloro-4-methylpyrimidine
chloro-4-MethylpyriMidine · 2-Chloro-6-methylpyrimidine · 2-CHLORO-4-METHYLPYRIMIDINE · 2-Chloro-4-methyl-1,3-diazine · Pyrimidine, 2-chloro-4-methyl- · 2-CHLORO-4-METHYLPYRIMIDINE 98% · 2-Chloro-4-methylpyrimidine >2-Chloro-4-methylpyrimidine ISO 9001：2015 REACH · Pyrimidine, 2-chloro-4-methyl- (6CI,7CI,8CI,9CI)
Identifikatoren & physikalische Daten
| CAS No. | 13036-57-2 |
|---|---|
| Summenformel | C5H5ClN2 |
| Durchschnittliche Molmasse | 128,56 g/mol |
| Monoisotopische Masse | 128,01412584 g/mol |
| SMILES | Cc1ccnc(Cl)n1 |
| InChIKey | BHAKRVSCGILCEW-UHFFFAOYSA-N |
| PubChem CID | 11629607 |
| EC No. | 678-759-8 |
| DTXSID | DTXSID40469672 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 76,8 |
| Schmelzpunkt | 35-36°C |
| Siedepunkt | 94°C/17mmHg(lit.) |
| Dichte | 1.234±0.06 g/cm3(Predicted) |
| Flammpunkt | 98℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -0.93±0.20(Predicted) |
| Farbe | Pale Yellow to Beige |
| Stabilität | Toxic |
| InChI | InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3 |
| InChIKey | BHAKRVSCGILCEW-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(C)=N1 |
| CAS Datenbank | 13036-57-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.DangerH302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (96.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| Zollcode | 29335990 |
| R-Sätze (R) | 22-41-37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-methylpyrimidine (cas# 13036-57-2) is a compound useful in organic synthesis.