2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

HCID 2736708CAS 154934-99-3

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cnc(Cl)nc1C(F)(F)F
InChIKey: BTRSILVUNQWNDR-UHFFFAOYSA-N
Summenformel: C6HCl2F3N2O
Durchschnittliche Molmasse: 244,98 g/mol
Monoisotopische Masse: 243,94180267

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
IUPAC: 2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
Englischer Name: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
Summenformel: C6HCl2F3N2O
Molmasse: 244.99

Namen und Synonyme

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride154934-99-32-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchlorideMFCD00173789C6HCl2F3N2OSCHEMBL79014DTXSID80371543SBB067930AKOS015853170PS-10730DB-008807F008268

Weitere Namen anzeigen

BUTTPARK 37\18-312-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)-2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride97%2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride 97%

2-chloro-4-trifluoromethyl-pyrimidin-5-carbonyl chloride2-chloro-4-trifluoromethylpyrimidine-5-carbonyl chloride2-chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride2-chloro-4-trifluoromethyl-pyrimidine-5-carbonyl chloride2-CHLORO-4-TRIFLUOROMETHYL-5-PYRIMIDINE CARBONYL CHLORIDE

Datenbank-Bezeichner

CAS: 154934-99-3
PubChem CID: 2736708
DTXSID: DTXSID80371543
EC Number: 672-004-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 236

Physikochemische Eigenschaften

Schmelzpunkt: 158 °C · 158 °C
Siedepunkt: 54 °C · 54°C 0,15mm
Dichte: 1.658 · 1.658±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
pka: -6.23 · -6.23±0.29(Predicted)
Farbe: Clear, dark yellow
CAS Datenbank: 154934 · 154934-99-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

ridadr: 3265
hs_code: 29335990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39
hazard_class: CORROSIVE

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl Chloride can be used to treat Rett Syndrome, acute coronary syndrome and related conditions. It can also be utilized in agrochemical anti-microbial agents.