2-Hydrazino-4-(trifluoromethyl)pyrimidine
Grundinformationen
- CAS
197305-97-8- Standard-SMILES
NNc1nccc(C(F)(F)F)n1- InChIKey
XQCAINVUBSAUBJ-UHFFFAOYSA-N- Summenformel
- C5H5F3N4
- Durchschnittliche Molmasse
- 178,12 g/mol
- Monoisotopische Masse
- 178,04663082
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydrazino-4-(trifluoromethyl)pyrimidine
- IUPAC
- [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
- Englischer Name
- 2-Hydrazino-4-(trifluoromethyl)pyrimidine
- Summenformel
- C5H5F3N4
- Molmasse
- 178.12
Namen und Synonyme
2-Hydrazino-4-(trifluoromethyl)pyrimidine197305-97-8DTXSID80361449RefChem:261487DTXCID00312498624-566-92-HYDRAZINYL-4-(TRIFLUOROMETHYL)PYRIMIDINE[4-(trifluoromethyl)pyrimidin-2-yl]hydrazineMFCD00115112N-[4-(Trifluoromethyl)pyrimidin-2-yl]hydrazinePyrimidine, 2-hydrazinyl-4-(trifluoromethyl)-4-(trifluoromethyl)pyrimidin-2-ylhydrazine
Weitere Namen anzeigen
CAS:197305-97-8BUTTPARK 27\08-681-[3-(trifluoromethyl)-2-pyridinyl]piperazine2-Hydrazino-4-(trifluoromethyl)pyrimidine 99%2-Hydrazino-4-(trifluoromethyl)pyrimidine ,99%4-(Trifluoromethyl)pyrimidin-2-ylhydrazine 97%
TD81572-hydrazino-4-trifluoromethylpyrimidineSB572802-hydrazino-4(trifluoromethyl)pyrimidine1-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine2(1H)-Pyrimidinone, 4-(trifluoromethyl)-, hydrazoneSCHEMBL2141628CHEMBL3793470
Datenbank-Bezeichner
- CAS
197305-97-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 63,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 148
Physikochemische Eigenschaften
- Schmelzpunkt
- 99 · 99-101 °C(lit.)
- Siedepunkt
- 187.4 · 187.4±50.0 °C(Predicted)
- Dichte
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- Soluble in aqueous acid.
- pka
- 5.63 · 5.63±0.40(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Orange to Green
- InChI
- 1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)
- InChIKey
- XQCAINVUBSAUBJ-UHFFFAOYSA-N
- SMILES
- NNc1nccc(n1)C(F)(F)F
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29335990
- risk_code
- 23/24/25-36/37/38
- hazard_code
- T,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Hydrazino-4-(trifluoromethyl)pyrimidine may be used as a derivatization reagent for the simultaneous determination of testosterone (T) and dihydrotestosterone (DHT) in murine tissue and serum. Synthesis of organohydrazide chelate complexes of rhenium and technetium. Preparation of 1-(4-methoxyphenyl)ethanone [(4-trifluoromethyl)pyrimidine-2-yl]hydrazone (NAS-75).
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