2-Amino-6-(trifluoromethyl)pyridine

HCID 821024CAS 34486-24-3

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Grundinformationen

Standard-SMILES: Nc1cccc(C(F)(F)F)n1
InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N
Summenformel: C6H5F3N2
Durchschnittliche Molmasse: 162,11 g/mol
Monoisotopische Masse: 162,04048282

Namen und Bezeichner

Bevorzugter Name: 2-Amino-6-(trifluoromethyl)pyridine
IUPAC: 6-(trifluoromethyl)pyridin-2-amine
Englischer Name: 2-Amino-6-(trifluoromethyl)pyridine
Summenformel: C6H5F3N2
Molmasse: 162.11

Namen und Synonyme

2-Amino-6-(trifluoromethyl)pyridine34486-24-3DTXSID00356271RefChem:464703DTXCID10307330636-458-96-(trifluoromethyl)pyridin-2-amineMFCD030938686-(trifluoromethyl)-2-pyridinylamineEN300-614962-Pyridinamine, 6-(trifluoromethyl)-6-(trifluoromethyl)-2-pyridylamine

Weitere Namen anzeigen

4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE2-Amino-6-(trifL6-trifluromethylpyridin-2-amine6-trifluoromethyl-2-pyridinamine2-Amino-6-(trifloromethyl)pyridine6-TrifluoroMethyl-pyridin-2-ylaMine

2-amino-6-trifluoromethylpyridine6-(trifluoromethyl)-2-pyridinamineAQ-776/42801241SCHEMBL181081SCHEMBL21855912SCHEMBL305316876-trifluoromethylpyridin-2-aminePBPDHPGJRZUHJW-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 34486-24-3
PubChem CID: 821024
DTXSID: DTXSID00356271
EC Number: 636-458-9
Nikkaji: J2.152.094B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
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: 85 · 85-89 °C
Siedepunkt: 192.1 · 192.1±40.0 °C(Predicted)
Dichte: 1.368 · 1.368±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 3.13 · 3.13±0.24(Predicted)
Farbe: Light yellow to Brown to Dark green
BRN: 473259 · 473259
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3H,(H2,10,11)
InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N
SMILES: C1(N)=NC(C(F)(F)F)=CC=C1
CAS Datenbank: 34486 · 34486-24-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (83.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 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. 2 (83.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 1
hs_code: 29333990
risk_code: 25-36/37/38-43-20/21/22
hazard_code: T,Xi,Xn
hazard_note: Irritant/Toxic
safety_code: 26-36/37-45-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3