2-Amino-5-(trifluoromethyl)pyridine

HCID 735862CAS 74784-70-6

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Grundinformationen

Standard-SMILES: Nc1ccc(C(F)(F)F)cn1
InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N
Summenformel: C6H5F3N2
Durchschnittliche Molmasse: 162,11 g/mol
Monoisotopische Masse: 162,04048282

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-(trifluoromethyl)pyridine
IUPAC: 5-(trifluoromethyl)pyridin-2-amine
Englischer Name: 5-(Trifluoromethyl)pyridin-2-amine
Summenformel: C6H5F3N2
Molmasse: 162.11

Namen und Synonyme

2-Amino-5-(trifluoromethyl)pyridineRefChem:464492623-444-274784-70-65-(trifluoromethyl)pyridin-2-amine2-Amino-5-trifluoromethylpyridine5-(Trifluoromethyl)-2-pyridinamine2-PYRIDINAMINE, 5-(TRIFLUOROMETHYL)-MFCD00042164EN300-1147572-amino-5 -trifluoromethylpyridine5-(trifluoromethyl)-2-pyridylamine

Weitere Namen anzeigen

JACS-74784-70-62-Amino-5-(trifLBUTTPARK 43\57-47TIMTEC-BB SBB0055005-(trifluoromethyl)p2-Amino-5-(trifluoromethy...2-Amino-5-trifuoromethylpyridine2-AMine-5-trifluoroMethylpyridine

5-(trifluoromethyl)-2-aminopyridineAKOS000265599FS-10682-Amino-5-(trifluoromethyl)pyridine, 97%5-trifluoromethyl-pyridin-2-ylamine5-(trifluoromethyl)pyridine-2-amine2-Amino-5-Trifluoromethyl Pyridine5-(Trifluoromethyl)-2-pyridinamine; 5-(Trifluoromethyl)pyridine-2ylamine; 5-Trifluoromethyl-2-aminopyridine; (5-Trifluoromethylpyridin-2-yl)amine;

Datenbank-Bezeichner

CAS: 74784-70-6
PubChem CID: 735862
DTXSID: DTXSID70352866
EC Number: 623-444-2
Nikkaji: J2.152.093D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 134

Physikochemische Eigenschaften

Schmelzpunkt: 45 °C · 45 °C
Siedepunkt: 90 · 90-92/20mbar
Dichte: 1 · 1,71g/cm
Brechungsindex: 1 · 1,533
Flammpunkt: 104 °C · 104 °C
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.55 · 4.55±0.13(Predicted)
Farbe: Off-White
BRN: 4800784 · 4800784
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)
InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C(F)(F)F)C=C1
CAS Datenbank: 74784 · 74784-70-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (96%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (96%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38-25
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36/37/39-45-36
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 OralEye Irrit. 2Skin Irrit. 2STOT SE 3