CAS 37552-81-1 4-Chloro-6-(trifluoromethyl)pyrimidine (HCID 11542881)

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Grundinformationen

CAS: 37552-81-1
Standard-SMILES: FC(F)(F)c1cc(Cl)ncn1
InChIKey: TYSPDLZOMUDHQZ-UHFFFAOYSA-N
Summenformel: C5H2ClF3N2
Durchschnittliche Molmasse: 182,53 g/mol
Monoisotopische Masse: 181,9858603

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-6-(trifluoromethyl)pyrimidine
IUPAC: 4-chloro-6-(trifluoromethyl)pyrimidine
Englischer Name: 4-Chloro-6-trifluoromethylpyrimidine
Summenformel: C5H2ClF3N2
Molmasse: 182.53

Namen und Synonyme

4-chloro-6-(trifluoromethyl)pyrimidine37552-81-1DTXSID60468288RefChem:291841DTXCID90419107817-202-74-Chloro-6-trifluoromethylpyrimidine4-Chloro-6-trifluoromethyl-pyrimidineMFCD049727714-chloro-6-(trifluoromethyl)-pyrimidineSCHEMBL17663F2124-0884

Weitere Namen anzeigen

IFLAB-BB F2124-08844-chloro-6-trifluorMethylpyriMidine6-Chloro-4-(trifluoromethyl)pyrimidine4-Chloro-6-(trifluoromethyl)-1,3-diazine4-Chloro-6-(trifluoromethyl)pyrimidine,95%4-CHLORO-6-(TRIFLUOROMETHYL)PYRIMIDINE ,98%4-Chloro-6-trifluoromethylpyrimidine ISO 9001：2015 REACH

Z1198165312Pyrimidine, 4-chloro-6-(trifluoromethyl)-BCP054994-Chloro-6-trifluA6415SCHEMBL939551SCHEMBL3382175BBL103942

Datenbank-Bezeichner

CAS: 37552-81-1
PubChem CID: 11542881
DTXSID: DTXSID60468288

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: -53 · -53--52 °C
Siedepunkt: 35 · 35-36 °C(Press: 22 Torr)
Dichte: 1.429 g/cm3 · 1.429 g/cm3
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -4.62 · -4.62±0.18(Predicted)
Aggregatzustand: Liquid
Farbe: Colorless to pale yellow
InChI: InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChIKey: TYSPDLZOMUDHQZ-UHFFFAOYSA-N
SMILES: C1=NC(C(F)(F)F)=CC(Cl)=N1
CAS Datenbank: 37552 · 37552-81-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.