4,6-Dimethyl-2-methylsulfonylpyrimidine

HCID 2772382CAS 35144-22-0

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Grundinformationen

Standard-SMILES: Cc1cc(C)nc(S(C)(=O)=O)n1
InChIKey: ZHPSNGCLCHWTRG-UHFFFAOYSA-N
Summenformel: C7H10N2O2S
Durchschnittliche Molmasse: 186,23 g/mol
Monoisotopische Masse: 186,04629856

Namen und Bezeichner

Bevorzugter Name: 4,6-Dimethyl-2-methylsulfonylpyrimidine
IUPAC: 4,6-dimethyl-2-methylsulfonylpyrimidine
Englischer Name: 4,6-Dimethyl-2-methylsulfonylpyrimidine
Summenformel: C7H10N2O2S
Molmasse: 186.23

Namen und Synonyme

4,6-Dimethyl-2-methylsulfonylpyrimidine4,6-dimethyl-2-(methylsulfonyl)pyrimidinepyrimidine, 4,6-dimethyl-2-(methylsulfonyl)-85VAF5UF4FDTXSID10378242RefChem:508129DTXCID70329270609-077-035144-22-02-Methanesulfonyl-4,6-dimethylpyrimidineMFCD037882862-METHANESULFONYL-4,6-DIMETHYL-PYRIMIDINE

Weitere Namen anzeigen

DLMSPVITAS-BB TBB0002424,6-Dimethyl-2-methyAmbrisentan Impurity 64,6-Dimethyl-2-(methylsulfonyl4,6-dimethyl-2-mesyl-pyrimidine6-DiMethyl-2-MethylsulfonylpyriMidine4,6-DIMETHY-2-METHYLSULFONYLPYRIMIDINE4,6-diMethyl-2-Methylsulfonyl pyridine

CS-W0030982-methane-sulfonyl-4,6-dimethyl-pyrimidine4,6-dimethyl-2-(methylsulphonyl)pyrimidineEN300-34528484,6-dimethyl-2-methylsulfonyl-pyrimidine2-(Methylsulfonyl)-4,6-dimethylpyrimidine; 2-Methanesulfonyl-4,6-dimethylpyrimidineFT-0639232UNII-85VAF5UF4F

Datenbank-Bezeichner

CAS: 35144-22-0
PubChem CID: 2772382
DTXSID: DTXSID10378242
UNII: 85VAF5UF4F
EC Number: 609-077-0
Nikkaji: J1.186.438D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 68,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Schmelzpunkt: 84 · 84-86°C
Siedepunkt: 358.3 · 358.3±45.0 °C(Predicted)
Dichte: 1.239 · 1.239
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: -1.84 · -1.84±0.30(Predicted)
Aggregatzustand: Crystalline Solid
Farbe: Red-brown
InChIKey: ZHPSNGCLCHWTRG-UHFFFAOYSA-N
CAS Datenbank: 35144 · 35144-22-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4,6-Dimethyl-2-(methylsulfonyl)pyrimidine is a reactant used in the preparation of [(dimethylpyrimidinyl)oxy]diphenyl butyric acid derivatives as endothelin receptor antagonists.